SCHEMBL646791

SCHEMBL646791

CCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccccc2F)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ACSS2 Q9NR19 1/20 0.40
LMNA P02545 1/20 0.39
DYRK1A Q13627 3/20 0.39
GSK3B P49841 2/20 0.39
WNT1 P04628 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ABL1 P00519 1/20 0.38
BRD4 O60885 2/20 0.38
MEN1 O00255 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
SCHEMBL5131167 0.94 CRACR2A (0.38) NPC1RAB9ASMN1; SMN2TP53ACSS2
SCHEMBL645898 0.92 SMN1; SMN2 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL646333 0.92 NPC1 (0.46) NPC1RAB9AGAAALDH1A1SMN1; SMN2
SCHEMBL647840 0.91 CHRNA7 (0.39) ALDH1A1TP53ACSS2LMNAABL1
SCHEMBL647758 0.91 CHRNA7 (0.36) ALDH1A1ACSS2LMNAABL1RXRA
SCHEMBL648215 0.91 MEN1 (0.40) NPC1RAB9ASMN1; SMN2ACSS2MEN1
SCHEMBL645379 0.90 CRACR2A (0.38) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL646478 0.90 ALDH1A1 (0.38) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL649245 0.89 STING1 (0.40) GAAALDH1A1KDM4EACSS2MEN1
SCHEMBL646066 0.87 ACSS2 (0.37) TP53ACSS2L3MBTL1ABL1RXRA

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-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
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 NPC1 852/4885RAB9A 3009/4885GAA 1516/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 NPC1 852/4885RAB9A 3009/4885GAA 1516/4885

“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.