SCHEMBL19252872

SCHEMBL19252872

O=[N+]([O-])c1cnn(Cc2ccc(F)cc2F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.51
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.47
RIPK1 Q13546 1/20 0.46
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NSD2 O96028 1/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
MPI P34949 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
CASP6 P55212 1/20 0.43
MCL1 Q07820 1/20 0.43

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
SCHEMBL28116366 0.89 RIPK1 (0.58) HIF1AMEN1KMT2AALDH1A1HTT
SCHEMBL21523774 0.84 HIF1A (0.47) HIF1AMEN1KMT2AALDH1A1HTT
SCHEMBL21523602 0.83 ALDH1A1 (0.58) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL21523675 0.82 SCD5 (0.45) HIF1AMEN1KMT2AALDH1A1HTT
SCHEMBL21523770 0.80 LMNA (0.58) HIF1AMEN1KMT2AALDH1A1HTT
SCHEMBL23388368 0.80 F2 (0.43) HIF1AMEN1KMT2AALDH1A1RIPK1
SCHEMBL21523794 0.78 KMT2A (0.58) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL19252939 0.76 MAPT (0.68) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL17166119 0.75 POLB (0.45) HIF1AMEN1KMT2AALDH1A1HTT
SCHEMBL22619675 0.74 HIF1A (0.46) HIF1AMEN1KMT2AALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113620950-A Carboxamide derivatives useful as RSK inhibitors 凤凰分子设计公司 2021-11-09 CN disclosed
CN-109071542-B Carboxamide derivatives useful as RSK inhibitors 凤凰分子设计公司 2021-07-20 CN disclosed
EP-3848373-A1 N-(1-((HETEROCYCLYL)METHYL)-1H-PYRAZOL-4-YL)-6-OXO-6,7,8,9- TETRAHYDROPYRIDO[3',2':4,5]PYRROLO[L,2-A]PYRAZINE-2-CARBOXAMIDE DERIVATIVES AS P90 RIBOSOMAL S6 KINASE (RSK) INHIBITORS FOR TREATING CANCER Phoenix Molecular Designs (CA) 2021-07-14 EP disclosed
US-20210186961-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2021-06-24 US disclosed
EP-3416964-B1 6-OXO-N-(1-(BENZYL)-1H-PYRAZOL-4-YL)-6,7,8,9- TETRAHYDROPYRIDO[3',2':4,5]PYRROLO[1,2-A]PYRAZINE-2-CARBOXAMIDE DERIVATIVES AS P90 RIBOSOMAL S6 KINASE (RSK) INHIBITORS FOR TREATING CANCER PHOENIX MOLECULAR DESIGNS (CA) 2020-12-16 EP disclosed
US-10758530-B2 Carboxamide derivatives useful as rsk inhibitors PHOENIX MOLECULAR DESIGNS (CA) 2020-09-01 US disclosed
US-20190134029-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2019-05-09 US disclosed
EP-3416964-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS Phoenix Molecular Designs (CA) 2018-12-26 EP disclosed
CN-109071542-A CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS 凤凰分子设计公司 2018-12-21 CN disclosed
US-10081632-B2 Substituted tetrahydropyrido[3′,2′:4,5]pyrrolo[1,2-α]pyrazine-2-carboxamides as RSK inhibitors PHOENIX MOLECULAR DESIGNS (CA) 2018-09-25 US disclosed
US-20170327501-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2017-11-16 US disclosed
US-20170327501-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2017-11-16 US disclosed
US-9771366-B2 Substituted tetrahydropyrido[3′,2′:4,5]pyrrolo[1,2-a]pyrazine-2-carboxamides as RSK inhibitors PHOENIX MOLECULAR DESIGN (CA) 2017-09-26 US disclosed
US-9771366-B2 Substituted tetrahydropyrido[3′,2′:4,5]pyrrolo[1,2-a]pyrazine-2-carboxamides as RSK inhibitors PHOENIX MOLECULAR DESIGN (CA) 2017-09-26 US disclosed
US-9771366-B2 Substituted tetrahydropyrido[3′,2′:4,5]pyrrolo[1,2-a]pyrazine-2-carboxamides as RSK inhibitors PHOENIX MOLECULAR DESIGN (CA) 2017-09-26 US disclosed
US-20170240549-A1 TETRAHYDROPYRIDO[3',2':4,5]PYRROLO[1,2-a]PYRAZINE-2-CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2017-08-24 US disclosed
WO-2017141116-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2017-08-24 WO disclosed
US-20170240549-A1 TETRAHYDROPYRIDO[3',2':4,5]PYRROLO[1,2-a]PYRAZINE-2-CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2017-08-24 US disclosed
US-20170240549-A1 TETRAHYDROPYRIDO[3',2':4,5]PYRROLO[1,2-a]PYRAZINE-2-CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2017-08-24 US disclosed
WO-2017141116-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2017-08-24 WO 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 (6 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-20190134029-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS RPS6KA5, RPS6KA2, RPS6KA1 HIF1A 1867/4885MEN1 3975/4885KMT2A 1496/4885
US-20170240549-A1 TETRAHYDROPYRIDO[3',2':4,5]PYRROLO[1,2-a]PYRAZINE-2-CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS RPS6KA5, RPS6KA2, RPS6KA1 HIF1A 2526/4885MEN1 4581/4885KMT2A 2483/4885
US-10081632-B2 Substituted tetrahydropyrido[3′,2′:4,5]pyrrolo[1,2-α]pyrazine-2-carboxamides as RSK inhibitors RPS6KA2, RPS6KA5, RPS6KA1 HIF1A 2714/4885MEN1 4300/4885KMT2A 1804/4885
US-10758530-B2 Carboxamide derivatives useful as rsk inhibitors RPS6KA5, RPS6KA2, RPS6KA1 HIF1A 1867/4885MEN1 3975/4885KMT2A 1496/4885
US-20170327501-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS RPS6KA2, RPS6KA5, RPS6KA1 HIF1A 2162/4885MEN1 4381/4885KMT2A 1710/4885
US-20210186961-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS RPS6KA2, RPS6KA5, RPS6KA1 HIF1A 2162/4885MEN1 4381/4885KMT2A 1710/4885

“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.