SCHEMBL2092597

SCHEMBL2092597

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NR3C1 P04150 2/20 0.38
KDR P35968 3/20 0.38
CLK2 P49760 2/20 0.38
HIPK4 Q8NE63 2/20 0.38
SRPK1 Q96SB4 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
STK17A Q9UEE5 2/20 0.38
PLK4 O00444 1/20 0.38
DYRK3 O43781 1/20 0.38
MAP4K4 O95819 1/20 0.38
CDK1 P06493 1/20 0.38
RET P07949 1/20 0.38
ROS1 P08922 1/20 0.38
FGFR1 P11362 1/20 0.38
FER P16591 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
SCHEMBL2092406 0.93 FGFR1 (0.42) ALDH1A1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL2091072 0.90 MET (0.42) NPC1RAB9ASMN1; SMN2KDRCLK2
SCHEMBL2092399 0.88 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2KDR
SCHEMBL2093412 0.87 ABL1 (0.52) NPC1TP53RAB9A
SCHEMBL2096491 0.86 ADORA3 (0.46) ALDH1A1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL2093770 0.85 F10 (0.45) ALDH1A1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL2095105 0.85 MEN1 (0.48) ALDH1A1NPC1RAB9AFGFR1GRM5
SCHEMBL2093667 0.85 ABL1 (0.48) NPC1TP53RAB9A
SCHEMBL2093370 0.85 DEGS1 (0.45) NPC1TP53RAB9ASMN1; SMN2FGFR1
SCHEMBL2091667 0.85 NPC1 (0.52) ALDH1A1NPC1TP53RAB9ASMN1; SMN2

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
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

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 2568/4885NPC1 1500/4885TP53 900/4885

“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.