SCHEMBL2094033

SCHEMBL2094033

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccc(Cl)cc2F)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.47
KCNH2 Q12809 4/20 0.47
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MITF O75030 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
GRM5 P41594 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
F2 P00734 2/20 0.39
HTR1F P30939 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CNR1 P21554 2/20 0.38
F9 P00740 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
SCHEMBL2090665 0.93 MAPT (0.44) F10KCNH2NPC1RAB9AKMT2A
SCHEMBL10188013 0.92 GRM5 (0.43) F10KCNH2NPC1RAB9AKMT2A
SCHEMBL2093347 0.89 NPC1 (0.46) F10NPC1RAB9AKMT2AMEN1
SCHEMBL2093770 0.89 F10 (0.45) F10KCNH2NPC1RAB9AKMT2A
SCHEMBL648228 0.89 F10 (0.43) F10KCNH2NPC1RAB9AKMT2A
SCHEMBL2095478 0.88 STIM1 (0.45) F10KCNH2NPC1RAB9AKMT2A
SCHEMBL2093431 0.87 KMT2A (0.45) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL2094049 0.86 ALDH1A1 (0.48) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL2092178 0.85 KMT2A (0.40) F10NPC1RAB9AKMT2AMEN1
SCHEMBL2095083 0.85 RAB9A (0.48) F10NPC1RAB9AKMT2AMEN1

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
US-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US 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 F10 104/4885KCNH2 2214/4885NPC1 1500/4885

“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.