SCHEMBL647623

SCHEMBL647623

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 8/20 0.42
GAA P10253 2/20 0.42
SCD O00767 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 3/20 0.37
HSP90AA1 P07900 1/20 0.37
PKM P14618 1/20 0.37
PAX8 Q06710 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
F10 P00742 1/20 0.35
KCNH2 Q12809 1/20 0.35
MITF O75030 1/20 0.35
TP53 P04637 1/20 0.35
AMY1A P0DUB6 1/20 0.35

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
SCHEMBL645754 0.91 HPGDS (0.40) NPC1RAB9AKMT2AGAAF10
SCHEMBL646293 0.91 KMT2A (0.45) NPC1RAB9AKMT2AMAPTGAA
SCHEMBL648743 0.89 SCD (0.51) NPC1RAB9AKMT2AMAPTGAA
SCHEMBL647011 0.89 GRM5 (0.39) NPC1RAB9AKMT2AMAPTGAA
SCHEMBL648228 0.87 F10 (0.43) NPC1RAB9AKMT2AMAPTGAA
SCHEMBL645944 0.87 NPC1 (0.37) NPC1RAB9AKMT2AGAAF10
SCHEMBL647067 0.87 IRAK4 (0.49) NPC1RAB9AKMT2AMAPTGAA
SCHEMBL646333 0.86 NPC1 (0.46) NPC1RAB9AKMT2AMAPTGAA
SCHEMBL645996 0.86 NPC1 (0.38) NPC1RAB9AKMT2AGAAF10
SCHEMBL645920 0.85 ORAI1 (0.45) NPC1RAB9AKMT2AMAPTGAA

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 10 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-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 3009/4885KMT2A 3225/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 NPC1 852/4885RAB9A 3009/4885KMT2A 3225/4885

“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.