SCHEMBL2095478

SCHEMBL2095478

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccncc2F)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.45
ORAI1 Q96D31 2/20 0.45
TRPC1 P48995 1/20 0.41
TRPC3 Q13507 1/20 0.41
PTK2B Q14289 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MITF O75030 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
ABCB1 P08183 2/20 0.40
ABCC1 P33527 1/20 0.40
MET P08581 3/20 0.39
GRM5 P41594 1/20 0.39
CRACR2A Q9BSW2 1/20 0.39
F10 P00742 2/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL2093347 0.91 NPC1 (0.46) NPC1RAB9AMITFTP53GAA
SCHEMBL10188013 0.90 GRM5 (0.43) CYP1A2CYP3A4CYP2C9NPC1RAB9A
SCHEMBL645920 0.89 ORAI1 (0.45) STIM1ORAI1TRPC1TRPC3PTK2B
SCHEMBL2092726 0.89 STIM1 (0.56) STIM1ORAI1TRPC1TRPC3CYP3A4
SCHEMBL2094033 0.88 F10 (0.47) NPC1RAB9AMITFTP53GAA
SCHEMBL2091509 0.86 MET (0.45) CYP1A2NPC1RAB9ATP53MET
SCHEMBL2090665 0.86 MAPT (0.44) NPC1RAB9AMITFTP53GAA
SCHEMBL2094199 0.85 KMT2A (0.51) PTK2BNPC1RAB9AMITFTP53
SCHEMBL2095105 0.85 MEN1 (0.48) NPC1RAB9AGRM5KMT2ARXFP1
SCHEMBL2093431 0.85 KMT2A (0.45) NPC1RAB9AMITFTP53GAA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004626-A2 BENZIMIDAZOLYL-PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-24 EP claimed
US-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US claimed
WO-2007112093-A2 BENZIMIDAZOLYL-PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-10-04 WO claimed
US-8163777-B2 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-04-24 US disclosed
US-8163777-B2 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-04-24 US disclosed
US-8163777-B2 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-04-24 US disclosed
EP-2004626-A2 BENZIMIDAZOLYL-PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-24 EP disclosed
US-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US disclosed
US-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US disclosed
US-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US disclosed
WO-2007112093-A2 BENZIMIDAZOLYL-PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-10-04 WO disclosed
WO-2007112093-A2 BENZIMIDAZOLYL-PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-10-04 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 (1 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-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses NLRP3, CXCR1, CXCR2 STIM1 853/4885ORAI1 935/4885TRPC1 1367/4885

“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.