SCHEMBL645898

SCHEMBL645898

CCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccccc2C)cn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
ACSS2 Q9NR19 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CRACR2A Q9BSW2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RXRA P19793 4/20 0.36
PPARG P37231 1/20 0.36
NR1H3 Q13133 1/20 0.36
MAPT P10636 3/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL646791 0.92 NPC1 (0.40) SMN1; SMN2ACSS2NPC1RAB9AHTT
SCHEMBL645875 0.92 ALDH1A1 (0.42) ACSS2NPC1RAB9AALOX15HTT
SCHEMBL646756 0.90 EPHX2 (0.36) SMN1; SMN2ACSS2NPC1RAB9ATP53
SCHEMBL649245 0.90 STING1 (0.40) ACSS2ALOX15MEN1KMT2AALDH1A1
SCHEMBL5131167 0.89 CRACR2A (0.38) SMN1; SMN2ACSS2NPC1RAB9ATP53
SCHEMBL647884 0.87 MAPT (0.48) SMN1; SMN2NPC1RAB9ATP53MAPK1
SCHEMBL647840 0.86 CHRNA7 (0.39) ACSS2TP53ALDH1A1RXRAPPARG
SCHEMBL647758 0.86 CHRNA7 (0.36) ACSS2ALDH1A1RXRAPPARGNR1H3
SCHEMBL647021 0.86 ABL1 (0.41) NPC1RAB9AALOX15HTTTP53
SCHEMBL648215 0.86 MEN1 (0.40) SMN1; SMN2ACSS2NPC1RAB9AMEN1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US claimed
EP-2001476-A2 BENZOIMIDAZOLYL-PARAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-17 EP claimed
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-10-25 US claimed
WO-2007109362-A2 BENZOIMIDAZOLYL-PARAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-09-27 WO claimed
US-8614321-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-12-24 US disclosed
US-20120190853-A1 BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-26 US disclosed
US-20120190853-A1 BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-26 US disclosed
US-20120190853-A1 BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-26 US disclosed
US-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US disclosed
US-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US disclosed
US-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US disclosed
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-10-25 US disclosed
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-10-25 US disclosed
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-10-25 US 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 (2 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-20120190853-A1 BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES IL5, CXCR5, NLRP3 SMN1; SMN2 4792/4885ACSS2 2207/4885NPC1 852/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 SMN1; SMN2 4792/4885ACSS2 2207/4885NPC1 852/4885

“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.