SCHEMBL646548

SCHEMBL646548

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2ccc(Cl)cc2F)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PKM P14618 2/20 0.35
GFER P55789 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CYP1A2 P05177 4/20 0.35
TSHR P16473 4/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 3/20 0.35
ALOX15 P16050 2/20 0.35
PFKFB3 Q16875 1/20 0.34
IDH1 O75874 1/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GPR6 P46095 2/20 0.33
TGFBR1 P36897 1/20 0.33
CYP2D6 P10635 2/20 0.33

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
SCHEMBL647978 0.91 PPARG (0.37) MEN1KMT2APKMGFERNPC1
SCHEMBL647988 0.89 MAPT (0.38) MEN1KMT2APKMGFERNPC1
SCHEMBL648004 0.88 PFKFB3 (0.39) MEN1KMT2APKMGFERCYP1A2
SCHEMBL646334 0.87 MAPT (0.36) MEN1KMT2AGFERCYP1A2TSHR
SCHEMBL648744 0.87 VNN1 (0.41) VNN1
SCHEMBL645748 0.86 MAPT (0.41) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL647452 0.86 LCK (0.38) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL647646 0.85 STIM1 (0.38) MEN1KMT2ATSHRPFKFB3SMN1; SMN2
SCHEMBL647785 0.84 STIM1 (0.40) MEN1KMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL645388 0.84 STIM1 (0.40) MEN1KMT2ACYP1A2TSHRCYP3A4

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-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 VNN1 2958/4885MEN1 4248/4885KMT2A 3225/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 VNN1 2958/4885MEN1 4248/4885KMT2A 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.