SCHEMBL645597

SCHEMBL645597

COc1cccc(CNc2cnc(-n3c(C(F)(F)F)nc4cc(OC)ccc43)cn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
ALOX15 P16050 1/20 0.41
RAB9A P51151 1/20 0.41
MITF O75030 1/20 0.40
ACP1 P24666 1/20 0.40
GAA P10253 1/20 0.39
GALR2 O43603 1/20 0.39
TSHR P16473 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C19 P33261 3/20 0.39

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
SCHEMBL648241 0.94 RAB9A (0.44) MEN1KMT2AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL647757 0.92 MAPT (0.43) KMT2AALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL646800 0.89 MAPT (0.45) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL648068 0.89 MKNK1 (0.38) ALDH1A1KDM4EHSD17B10SMN1; SMN2NPC1
SCHEMBL647785 0.88 STIM1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL647988 0.85 MAPT (0.38) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL646767 0.85 CYP2C19 (0.44) MEN1KMT2AATMALDH1A1HSD17B10
SCHEMBL647141 0.85 TSHR (0.38) MEN1KMT2AL3MBTL1ALDH1A1HSD17B10
SCHEMBL645748 0.85 MAPT (0.41) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL645924 0.85 ALDH1A1 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2TSHR

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 MEN1 4248/4885KMT2A 3225/4885ATM 2301/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 MEN1 4248/4885KMT2A 3225/4885ATM 2301/4885

“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.