SCHEMBL648016

SCHEMBL648016

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.43
SUV39H1 O43463 1/20 0.43
EHMT2 Q96KQ7 1/20 0.43
PRMT1 Q99873 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
DEGS1 O15121 3/20 0.42
PTGS1 P23219 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
SCD O00767 2/20 0.41
HPGDS O60760 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
KDR P35968 2/20 0.40
CACNA1D Q01668 1/20 0.40
CLK2 P49760 1/20 0.40
IRAK1 P51617 1/20 0.40
NEK4 P51957 1/20 0.40
MAP4K2 Q12851 1/20 0.40
HIPK4 Q8NE63 1/20 0.40

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
SCHEMBL646580 0.96 DEGS1 (0.45) SUV39H1EHMT2PRMT1ALDH1A1GAA
SCHEMBL646984 0.95 TP53 (0.43) LIPESUV39H1EHMT2PRMT1ALDH1A1
SCHEMBL8234419 0.94 DEGS1 (0.47) ALDH1A1GAADEGS1HPGDSMAPT
SCHEMBL648772 0.94 F10 (0.42) ALDH1A1GAADEGS1HPGDSMAPT
SCHEMBL646827 0.94 MAPT (0.41) ALDH1A1GAADEGS1HPGDSMAPT
SCHEMBL645596 0.94 MEN1 (0.44) ALDH1A1GAADEGS1SCDHPGDS
SCHEMBL649267 0.93 DEGS1 (0.40) SUV39H1EHMT2PRMT1ALDH1A1GAA
SCHEMBL10151367 0.93 DEGS1 (0.40) LIPESUV39H1EHMT2PRMT1ALDH1A1
SCHEMBL648071 0.92 MAPT (0.44) ALDH1A1GAADEGS1HPGDSKDM4E
SCHEMBL646895 0.92 HPGDS (0.41) ALDH1A1DEGS1HPGDSMAPTEPHX2

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 LIPE 1776/4885SUV39H1 1920/4885EHMT2 3211/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 LIPE 1776/4885SUV39H1 1920/4885EHMT2 3211/4885

“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.