SCHEMBL2094049

SCHEMBL2094049

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2cccc(Cl)c2)nc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
RAB9A P51151 8/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GRM5 P41594 4/20 0.45
NPC1 O15118 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 4/20 0.44
POLB P06746 1/20 0.44
ADORA2A P29274 1/20 0.41
PKM P14618 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL2091667 0.93 NPC1 (0.52) ALDH1A1RAB9AMEN1KMT2AGRM5
SCHEMBL2093770 0.91 F10 (0.45) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL2094484 0.91 NPC1 (0.45) ALDH1A1RAB9AMEN1KMT2AGRM5
SCHEMBL2094287 0.91 MEN1 (0.55) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL2092592 0.91 NPC1 (0.45) ALDH1A1RAB9AMEN1KMT2AGRM5
SCHEMBL2095439 0.90 NPC1 (0.44) ALDH1A1RAB9AMEN1KMT2AGRM5
SCHEMBL2092593 0.90 NPC1 (0.44) ALDH1A1RAB9AMEN1KMT2AGRM5
SCHEMBL2094043 0.89 NPC1 (0.43) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL2091928 0.89 RAB9A (0.43) ALDH1A1RAB9AMEN1KMT2AGRM5
SCHEMBL647883 0.88 GRM5 (0.45) ALDH1A1RAB9AMEN1KMT2AGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163777-B2 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-04-24 US claimed
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
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

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 ALDH1A1 2568/4885RAB9A 642/4885MEN1 3217/4885

“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.