SCHEMBL649514

SCHEMBL649514

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.40
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
F10 P00742 3/20 0.39
KCNH2 Q12809 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TMPRSS4 Q9NRS4 1/20 0.37
KDR P35968 1/20 0.37
GRM5 P41594 2/20 0.36
ATF1 P18846 1/20 0.36
NFKB1 P19838 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
F2 P00734 2/20 0.36
DCLK1 O15075 1/20 0.36
FES P07332 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
SCHEMBL648228 0.94 F10 (0.43) CSNK1DCSNK1EF10KCNH2NPC1
SCHEMBL645416 0.93 NPC1 (0.44) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL646892 0.92 CSNK1D (0.40) CSNK1DCSNK1EF10NPC1RAB9A
SCHEMBL648251 0.92 MAPT (0.44) F10KCNH2NPC1RAB9AMEN1
SCHEMBL646004 0.91 NPC1 (0.38) CSNK1DCSNK1EF10KCNH2NPC1
SCHEMBL647961 0.91 NPC1 (0.45) F10KCNH2NPC1RAB9AMEN1
SCHEMBL645944 0.91 NPC1 (0.37) F10KCNH2NPC1RAB9AKMT2A
SCHEMBL646333 0.90 NPC1 (0.46) TLR8NPC1RAB9AMEN1KMT2A
SCHEMBL645754 0.90 HPGDS (0.40) F10KCNH2NPC1RAB9AKMT2A
SCHEMBL648772 0.90 F10 (0.42) F10KCNH2NPC1RAB9AMEN1

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 11 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
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 TLR8 158/4885CSNK1D 807/4885CSNK1E 739/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 TLR8 158/4885CSNK1D 807/4885CSNK1E 739/4885

“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.