SCHEMBL402164

SCHEMBL402164

[Na+].[O-]c1ccn2nccc2n1

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN5A known ✓ Q14524 1/20 0.41
DYRK1A Q13627 1/20 0.46
TGFBR1 P36897 3/20 0.37
NAMPT P43490 1/20 0.32
PCSK9 Q8NBP7 1/20 0.32
PIK3CD O00329 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1440869 0.74 DYRK1A (0.49) DYRK1ASCN5ATGFBR1NAMPTPCSK9
SCHEMBL405358 0.72 DYRK1A (0.47) DYRK1ASCN5ATGFBR1PCSK9PIK3CD
SCHEMBL2750457 0.72 TGFBR1 (0.51) DYRK1ASCN5ATGFBR1PCSK9PIK3CD
SCHEMBL4162933 0.72 DYRK1A (0.47) DYRK1ASCN5ATGFBR1NAMPTPCSK9
SCHEMBL30512173 0.72 DYRK1A (0.47) DYRK1ASCN5ATGFBR1NAMPTPCSK9
SCHEMBL4789377 0.72 DYRK1A (0.47) DYRK1ASCN5ATGFBR1NAMPTPCSK9
SCHEMBL23529908 0.68 DYRK1A (0.44) DYRK1ASCN5ATGFBR1NAMPTPCSK9
SCHEMBL3162678 0.68 DYRK1A (0.65) DYRK1ASCN5ATGFBR1PIK3CD
SCHEMBL7851567 0.68 DYRK1A (0.47) DYRK1ASCN5ATGFBR1PCSK9PIK3CD
SCHEMBL29984317 0.68 DYRK1A (0.44) DYRK1ASCN5ATGFBR1NAMPTPCSK9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3439663-B1 METHODS OF TREATING PEDIATRIC CANCERS LOXO ONCOLOGY INC (US) 2024-07-17 EP disclosed
EP-3699181-B1 CRYSTALLINE FORM OF (S)-N-(5-((R)-2-(2,5-DIFLUOROPHENYL)-PYRROLIDIN-1-YL)-PYRAZOLO[1,5-A]PYRIMIDIN-3-YL)-3-HYDROXYPYRROLIDINE-1-CARBOXAMIDE HYDROGEN SULFATE ARRAY BIOPHARMA INC (US) 2023-03-01 EP disclosed
US-11484535-B2 Liquid formulations of (S)-N-(5-((R)-2-(2,5-difluorophenyl)-pyrrolidin-1-yl)-pyrazolo[1,5-a] pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide LOXO ONCOLOGY, INC. (US) 2022-11-01 US disclosed
US-11191766-B2 Methods of treating pediatric cancers LOXO ONCOLOGY, INC. (US) 2021-12-07 US disclosed
EP-3218380-B1 PREPARATION OF A CRYSTALLINE FORM OF (S)-N-(5-((R)-2-(2,5-DIFLUOROPHENYL)-PYRROLIDIN-1-YL)-PYRAZOLO[1,5-A]PYRIMIDIN-3-YL)-3-HYDROXYPYRROLIDINE-1-CARBOXAMIDE HYDROGEN SULFATE ARRAY BIOPHARMA INC (US) 2021-03-17 EP disclosed
US-20200338079-A1 LIQUID FORMULATIONS OF (S)-N-(5-((R)-2-(2,5-DIFLUOROPHENYL)-PYRROLIDIN-1-YL)-PYRAZOLO[1,5-A]PYRIMIDIN-3-YL)-3-HYDROXYPYRROLIDINE-1-CARBOXAMIDE LOXO ONCOLOGY, INC. 2020-10-29 US disclosed
US-10813936-B2 Crystalline form of (S)-N-(5-((R)-2-(2,5-difluorophenyl)-pyrrolidin-1-YL)-pyrazolo[1,5-A]pyrimidin-3-YL)-3-hydroxypyrrolidine-1-carboxamide hydrogen sulfate ARRAY BIOPHARMA, INC. (US) 2020-10-27 US disclosed
US-10799505-B2 Crystalline form of (S)-N-(5-((R)-2-(2,5-difluorophenyl)-pyrrolidin-1-yl)-pyrazolo[1,5-A]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide hydrogen sulfate ARRAY BIOPHARMA, INC. (US) 2020-10-13 US disclosed
EP-3699181-A1 CRYSTALLINE FORM OF (S)-N-(5-((R)-2-(2,5-DIFLUOROPHENYL)-PYRROLIDIN-1-YL)-PYRAZOLO[1,5-A]PYRIMIDIN-3-YL)-3-HYDROXYPYRROLIDINE-1-CARBOXAMIDE HYDROGEN SULFATE Array Biopharma, Inc. (US) 2020-08-26 EP disclosed
US-20200237765-A1 METHODS OF TREATING PEDIATRIC CANCERS LOXO ONCOLOGY, INC. 2020-07-30 US disclosed
EP-3218380-A1 CRYSTALLINE FORM OF (S)-N-(5-((R)-2-(2,5-DIFLUOROPHENYL)-PYRROLIDIN-1-YL)-PYRAZOLO[1,5-A]PYRIMIDIN-3-YL)-3-HYDROXYPYRROLIDINE-1-CARBOXAMIDE HYDROGEN SULFATE Array Biopharma, Inc. (US) 2017-09-20 EP disclosed
US-20170165267-A1 CRYSTALLINE FORM OF (S)-N-(5-((R)-2-(2,5-DIFLUOROPHENYL)-PYRROLIDIN-1-YL)-PYRAZOLO[1,5-A]PYRIMIDIN-3-YL)-3-HYDROXYPYRROLIDINE-1-CARBOXAMIDE HYDROGEN SULFATE ARRAY BIOPHARMA, INC. 2017-06-15 US disclosed
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
WO-2016077841-A1 CRYSTALLINE FORM OF (S)-N-(5-((R)-2-(2,5-DIFLUOROPHENYL)-PYRROLIDIN-1-YL)-PYRAZOLO[1,5-A]PYRIMIDIN-3-YL)-3-HYDROXYPYRROLIDINE-1-CARBOXAMIDE HYDROGEN SULFATE ARRAY BIOPHARMA, INC. (US) 2016-05-19 WO disclosed
US-20160137654-A1 CRYSTALLINE FORM OF (S)-N-(5-((R)-2-(2,5-DIFLUOROPHENYL)-PYRROLIDIN-1-YL)-PYRAZOLO[1,5-A]PYRIMIDIN-3-YL)-3-HYDROXYPYRROLIDINE-1-CARBOXAMIDE HYDROGEN SULFATE ARRAY BIOPHARMA, INC. 2016-05-19 US disclosed
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 EP disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 EP disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 SCN5A 2290/4885DYRK1A 90/4885TGFBR1 1184/4885
US-10813936-B2 Crystalline form of (S)-N-(5-((R)-2-(2,5-difluorophenyl)-pyrrolidin-1-YL)-pyrazolo[1,5-A]pyrimidin-3-YL)-3-hydroxypyrrolidine-1-carboxamide hydrogen sulfate SNCA, SFPQ, PYCR1 SCN5A 14/4885DYRK1A 1715/4885TGFBR1 2951/4885
US-11191766-B2 Methods of treating pediatric cancers VHL, HDAC6, PAICS SCN5A 1031/4885DYRK1A 2667/4885TGFBR1 4704/4885
US-20160137654-A1 CRYSTALLINE FORM OF (S)-N-(5-((R)-2-(2,5-DIFLUOROPHENYL)-PYRROLIDIN-1-YL)-PYRAZOLO[1,5-A]PYRIMIDIN-3-YL)-3-HYDROXYPYRROLIDINE-1-CARBOXAMIDE HYDROGEN SULFATE SNCA, SFPQ, PYCR1 SCN5A 14/4885DYRK1A 1715/4885TGFBR1 2951/4885
US-20200338079-A1 LIQUID FORMULATIONS OF (S)-N-(5-((R)-2-(2,5-DIFLUOROPHENYL)-PYRROLIDIN-1-YL)-PYRAZOLO[1,5-A]PYRIMIDIN-3-YL)-3-HYDROXYPYRROLIDINE-1-CARBOXAMIDE IL5, IL1A, RRP15 SCN5A 297/4885DYRK1A 1116/4885TGFBR1 4559/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 SCN5A 2290/4885DYRK1A 90/4885TGFBR1 1184/4885
US-20200237765-A1 METHODS OF TREATING PEDIATRIC CANCERS VHL, HDAC6, PAICS SCN5A 1031/4885DYRK1A 2667/4885TGFBR1 4704/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 SCN5A 2290/4885DYRK1A 90/4885TGFBR1 1184/4885
US-11484535-B2 Liquid formulations of (S)-N-(5-((R)-2-(2,5-difluorophenyl)-pyrrolidin-1-yl)-pyrazolo[1,5-a] pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide IL5, IL1A, RRP15 SCN5A 297/4885DYRK1A 1116/4885TGFBR1 4559/4885
US-10799505-B2 Crystalline form of (S)-N-(5-((R)-2-(2,5-difluorophenyl)-pyrrolidin-1-yl)-pyrazolo[1,5-A]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide hydrogen sulfate SNCA, SFPQ, PYCR1 SCN5A 20/4885DYRK1A 1707/4885TGFBR1 3074/4885
US-20170165267-A1 CRYSTALLINE FORM OF (S)-N-(5-((R)-2-(2,5-DIFLUOROPHENYL)-PYRROLIDIN-1-YL)-PYRAZOLO[1,5-A]PYRIMIDIN-3-YL)-3-HYDROXYPYRROLIDINE-1-CARBOXAMIDE HYDROGEN SULFATE SNCA, SFPQ, PYCR1 SCN5A 14/4885DYRK1A 1715/4885TGFBR1 2951/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.