SCHEMBL646792

SCHEMBL646792

CCc1ccc(C(=O)Nc2cnc(-n3c(C(F)(F)F)nc4cc(OC)ccc43)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUV39H1 O43463 1/20 0.42
EHMT2 Q96KQ7 1/20 0.42
PRMT1 Q99873 1/20 0.42
DEGS1 O15121 3/20 0.41
RXRA P19793 3/20 0.39
SCD O00767 2/20 0.39
HPGDS O60760 2/20 0.39
PPARG P37231 1/20 0.38
NR1H3 Q13133 1/20 0.38
MAPT P10636 1/20 0.38
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
PTGER4 P35408 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
GCG P01275 1/20 0.37
GCGR P47871 1/20 0.37
GIPR P48546 1/20 0.37

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
SCHEMBL649498 0.93 SUV39H1 (0.43) SUV39H1EHMT2PRMT1DEGS1RXRA
SCHEMBL646580 0.93 DEGS1 (0.45) SUV39H1EHMT2PRMT1DEGS1HPGDS
SCHEMBL648071 0.92 MAPT (0.44) DEGS1RXRAHPGDSPPARGNR1H3
SCHEMBL645444 0.92 RXRA (0.42) SUV39H1EHMT2PRMT1DEGS1RXRA
SCHEMBL648016 0.91 LIPE (0.43) SUV39H1EHMT2PRMT1DEGS1SCD
SCHEMBL645790 0.91 PLK1 (0.45) SUV39H1EHMT2PRMT1RXRA
SCHEMBL8234419 0.91 DEGS1 (0.47) DEGS1RXRAHPGDSMAPTEPHX2
SCHEMBL646827 0.91 MAPT (0.41) DEGS1RXRAHPGDSMAPTEPHX2
SCHEMBL645596 0.91 MEN1 (0.44) DEGS1SCDHPGDSEPHX2ALDH1A1
SCHEMBL648772 0.91 F10 (0.42) DEGS1HPGDSMAPTEPHX2ALDH1A1

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 8 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

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 SUV39H1 1920/4885EHMT2 3211/4885PRMT1 2937/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 SUV39H1 1920/4885EHMT2 3211/4885PRMT1 2937/4885

“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.