SCHEMBL646004

SCHEMBL646004

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cc(Br)ccc2F)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAP3K5 Q99683 1/20 0.37
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
MITF O75030 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
GPR35 Q9HC97 1/20 0.35
GRM5 P41594 1/20 0.34
HPGDS O60760 1/20 0.34
SORT1 Q99523 2/20 0.34
KDR P35968 2/20 0.34
CLK2 P49760 2/20 0.34
HIPK4 Q8NE63 2/20 0.34
SRPK1 Q96SB4 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
STK17A Q9UEE5 2/20 0.34
F10 P00742 2/20 0.34
PLK4 O00444 1/20 0.34

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
SCHEMBL646892 0.92 CSNK1D (0.40) NPC1RAB9AMAP3K5CSNK1DCSNK1E
SCHEMBL649514 0.91 TLR8 (0.40) NPC1RAB9ACSNK1DCSNK1EMITF
SCHEMBL645944 0.90 NPC1 (0.37) NPC1RAB9AMITFTP53GAA
SCHEMBL8234041 0.89 NPC1 (0.39) NPC1RAB9AMAP3K5MITFTP53
SCHEMBL646333 0.89 NPC1 (0.46) NPC1RAB9ATP53GAADYRK1A
SCHEMBL645754 0.89 HPGDS (0.40) NPC1RAB9AMITFTP53GAA
SCHEMBL645996 0.88 NPC1 (0.38) NPC1RAB9ACSNK1DCSNK1EMITF
SCHEMBL649267 0.88 DEGS1 (0.40) NPC1RAB9ATP53GAAHPGDS
SCHEMBL646899 0.87 GRM5 (0.38) NPC1RAB9AMITFTP53GAA
SCHEMBL648228 0.87 F10 (0.43) NPC1RAB9ACSNK1DCSNK1EMITF

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
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
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 3009/4885MAP3K5 1306/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 NPC1 852/4885RAB9A 3009/4885MAP3K5 1306/4885

“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.