SCHEMBL2093393

SCHEMBL2093393

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.49
ALDH1A1 P00352 4/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
MAPK1 P28482 2/20 0.47
ALOX15 P16050 1/20 0.47
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
BACE1 P56817 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
BRDT Q58F21 1/20 0.41
CDK5 Q00535 2/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5R1 Q15078 1/20 0.40
LMNA P02545 2/20 0.39

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
SCHEMBL2096491 0.88 ADORA3 (0.46) BRD4ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL2092399 0.88 ALDH1A1 (0.45) BRD4ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL2093218 0.87 BRD4 (0.52) BRD4ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL2091072 0.87 MET (0.42) BRD4RAB9ASMN1; SMN2NPC1CDK5
SCHEMBL2091922 0.87 NPC1 (0.43) BRD4ALDH1A1RAB9ANPC1CDK5
SCHEMBL2092406 0.86 FGFR1 (0.42) BRD4ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL2092597 0.85 ALDH1A1 (0.43) BRD4ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL2093412 0.84 ABL1 (0.52) RAB9ANPC1TP53HSD17B10GSK3B
SCHEMBL2091667 0.82 NPC1 (0.52) ALDH1A1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL2093770 0.82 F10 (0.45) ALDH1A1RAB9ASMN1; SMN2NPC1TP53

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 10 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
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 BRD4 335/4885ALDH1A1 2568/4885RAB9A 642/4885

“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.