SCHEMBL646832

SCHEMBL646832

COc1cccc(C(=O)Nc2cnc(-n3c(C(F)(F)F)nc4cc(OC)ccc43)cn2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.47
RAB9A P51151 9/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 4/20 0.47
ALDH1A1 P00352 4/20 0.47
GRM5 P41594 1/20 0.46
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
SCD O00767 2/20 0.43
ABL1 P00519 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DHODH Q02127 1/20 0.43

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
SCHEMBL645425 0.94 ALOX15 (0.49) GAAMAPTMAPK1TDP1L3MBTL1
SCHEMBL8234325 0.94 GRM5 (0.46) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL645402 0.94 MEN1 (0.51) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL647817 0.94 SCD (0.45) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL647883 0.93 GRM5 (0.45) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL647532 0.93 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL647767 0.93 NPC1 (0.43) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL646895 0.93 HPGDS (0.41) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL646983 0.93 ADORA2A (0.44) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL646580 0.92 DEGS1 (0.45) NPC1RAB9ASMN1; SMN2TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2001476-A2 BENZOIMIDAZOLYL-PARAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-17 EP 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
WO-2007109362-A2 BENZOIMIDAZOLYL-PARAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-09-27 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 (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 3009/4885SMN1; SMN2 4792/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 NPC1 852/4885RAB9A 3009/4885SMN1; SMN2 4792/4885

“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.