SCHEMBL2093770

SCHEMBL2093770

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccc(Cl)cc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.45
F2 P00734 1/20 0.45
KCNH2 Q12809 1/20 0.45
DEGS1 O15121 2/20 0.45
RAB9A P51151 6/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 3/20 0.44
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL2095105 0.93 MEN1 (0.48) DEGS1RAB9ANPC1ALDH1A1LMNA
SCHEMBL2093370 0.93 DEGS1 (0.45) DEGS1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL2093208 0.92 DEGS1 (0.44) DEGS1RAB9ANPC1ALDH1A1LMNA
SCHEMBL2094420 0.92 DEGS1 (0.44) F10F2KCNH2DEGS1ALDH1A1
SCHEMBL2094049 0.91 ALDH1A1 (0.48) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL2094250 0.91 DEGS1 (0.45) DEGS1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL2091762 0.91 DEGS1 (0.43) F10F2KCNH2DEGS1RAB9A
SCHEMBL2092699 0.91 DEGS1 (0.43) DEGS1RAB9ANPC1ALDH1A1LMNA
SCHEMBL2090665 0.90 MAPT (0.44) F10F2KCNH2RAB9ANPC1
SCHEMBL2094235 0.90 HDAC4 (0.44) DEGS1RAB9ANPC1SMN1; SMN2TP53

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 13 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
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 104/4885F2 474/4885KCNH2 2214/4885

“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.