SCHEMBL10188013

SCHEMBL10188013

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.43
ABCB1 P08183 1/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
MITF O75030 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
F10 P00742 3/20 0.41
KCNH2 Q12809 1/20 0.41
MET P08581 3/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
AHR P35869 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
AXL P30530 1/20 0.38
HTR1F P30939 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL2094033 0.92 F10 (0.47) GRM5ABCB1NPC1RAB9AMITF
SCHEMBL2093347 0.91 NPC1 (0.46) GRM5NPC1RAB9AMITFTP53
SCHEMBL2095478 0.90 STIM1 (0.45) GRM5ABCB1NPC1RAB9AMITF
SCHEMBL2095105 0.89 MEN1 (0.48) GRM5NPC1RAB9AKMT2AMEN1
SCHEMBL647011 0.88 GRM5 (0.39) GRM5ABCB1NPC1RAB9AMITF
SCHEMBL2092598 0.88 NPC1 (0.45) NPC1RAB9ATP53METKMT2A
SCHEMBL2094199 0.87 KMT2A (0.51) NPC1RAB9AMITFTP53GAA
SCHEMBL2095083 0.86 RAB9A (0.48) GRM5NPC1RAB9AMITFTP53
SCHEMBL2094287 0.86 MEN1 (0.55) NPC1RAB9ATP53KMT2AMEN1
SCHEMBL2091509 0.86 MET (0.45) GRM5NPC1RAB9ATP53F10

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 5 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 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
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 GRM5 3788/4885ABCB1 1405/4885NPC1 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.