SCHEMBL12470613

SCHEMBL12470613

CC(=O)Oc1ccncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
P2RX7 Q99572 1/20 0.39
KDM4E B2RXH2 3/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX12 P18054 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 3/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2C9 P11712 2/20 0.35
ABCB11 O95342 1/20 0.35
ESR1 P03372 1/20 0.35
ADRA2A P08913 1/20 0.35
TSHR P16473 1/20 0.35
PDE4A P27815 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRK1 P41145 1/20 0.35
STAT6 P42226 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL30575119 0.98 HSP90AA1 (0.39) HSP90AA1P2RX7KDM4ECYP3A4ALOX12
SCHEMBL29080505 0.98 HSP90AA1 (0.39) HSP90AA1P2RX7KDM4ECYP3A4ALOX12
SCHEMBL13134209 0.82 ELANE (0.38) HSP90AA1P2RX7TDP1LMNAKMT2A
SCHEMBL3657194 0.82 HSP90AA1 (0.41) HSP90AA1P2RX7KMT2AHSD17B10CTNNB1
SCHEMBL6648327 0.81 P2RX7 (0.41) HSP90AA1P2RX7KDM4ECYP3A4LMNA
SCHEMBL2788170 0.80 P2RX7 (0.43) HSP90AA1P2RX7KDM4EKMT2AHSD17B10
SCHEMBL8390998 0.80 HSP90AA1 (0.45) HSP90AA1P2RX7KDM4ECYP3A4TDP1
SCHEMBL20334077 0.79 ELANE (0.41) HSP90AA1P2RX7TDP1BRAFKDR
SCHEMBL30606641 0.79 ELANE (0.43) HSP90AA1P2RX7KDM4EKMT2AMAPT
SCHEMBL30606626 0.79 KMT2A (0.40) HSP90AA1P2RX7CYP3A4LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103443099-B Regulate composition and the method for FXR NOVARTIS AG (CH) 2016-03-23 CN claimed
CN-104870449-A Novel compounds CHIESI FARMA SPA 2015-08-26 CN claimed
CN-103827117-A Tetrahydrotriazolopyrimidine derivatives as human neutrophil elastase inhibitors CHIESI FARMA SPA 2014-05-28 CN claimed
US-20140128373-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-05-08 US claimed
CN-103517710-A Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC 2014-01-15 CN claimed
CN-103443099-A Compositions and methods for modulating FXR IRM LLC 2013-12-11 CN claimed
CN-1407985-A Heterocyclic dihydropyrimidines as potassium channel inhibitors BRISTOL MYERS SQUIBB CO (US) 2003-04-02 CN claimed
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2023-09-07 US disclosed
CN-116568301-A Bicyclic compounds for treating diseases and uses thereof 雅斯娜制药公司 2023-08-08 CN disclosed
US-11337976-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2022-05-24 US disclosed
EP-2672967-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-10-17 EP disclosed
US-20170157120-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-06-08 US disclosed
US-9624213-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-18 US disclosed
CN-101360719-A 2- (polysubstituted aryl) -6-amino-5-halo-4-pyrimidinecarboxylic acids and their use as herbicides DOW AGROSCIENCES LLC (US) 2009-02-04 CN disclosed
CN-101163693-A Antibacterial piperidine derivatives ASTRAZENECA AB (SE) 2008-04-16 CN disclosed
CN-100371329-C Novel pyrimidine-4,6-dicarboxamides for the selective inhibition of collagenases AVENTIS PHARMA GMBH (DE) 2008-02-27 CN disclosed
CN-101023063-A Azine-carboxamides as anti-cancer agents ASTRAZENECA AB (SE) 2007-08-22 CN disclosed
CN-1714083-A Novel pyrimidine-4,6-dicarboxamides for the selective inhibition of collagenases AVENTIS PHARMA GMBH (DE) 2005-12-28 CN disclosed
CN-1422268-A 5-alkylpyrido [2,3-D] pyrimidines tyrosine kinase inhibitors WARNER LAMBERT CO (US) 2003-06-04 CN disclosed
CN-1407985-A Heterocyclic dihydropyrimidines as potassium channel inhibitors BRISTOL MYERS SQUIBB CO (US) 2003-04-02 CN 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 (4 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-11337976-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K20, PRKACA, MAP3K13 HSP90AA1 583/4885P2RX7 3830/4885KDM4E 2174/4885
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 HSP90AA1 583/4885P2RX7 3830/4885KDM4E 2174/4885
US-20140128373-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 HSP90AA1 583/4885P2RX7 3830/4885KDM4E 2174/4885
US-20170157120-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 HSP90AA1 583/4885P2RX7 3830/4885KDM4E 2174/4885

“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.