SCHEMBL1698121

SCHEMBL1698121

COC(=O)c1cc2ncc(Cl)nc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.43
CSNK2B P67870 2/20 0.43
CSNK2A1 P68400 2/20 0.43
KDR P35968 1/20 0.43
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
KDM4E B2RXH2 4/20 0.38
PAK4 O96013 1/20 0.37
AKT1 P31749 1/20 0.37
PLK1 P53350 1/20 0.37
KMT2A Q03164 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL1697903 0.88 CSNK2A2 (0.43) CSNK2A2CSNK2BCSNK2A1KDRALDH1A1
SCHEMBL1697883 0.84 DAO (0.42) ALDH1A1CCNCCDK8KDM4EKMT2A
SCHEMBL1697962 0.83 ALDH1A1 (0.38) ALDH1A1PKM
SCHEMBL30597783 0.76 ALDH1A1 (0.47) CSNK2A2CSNK2BCSNK2A1KDRALDH1A1
SCHEMBL20168500 0.76 ALDH1A1 (0.47) CSNK2A2CSNK2BCSNK2A1KDRALDH1A1
SCHEMBL30806799 0.75 CSNK2A2 (0.44) CSNK2A2CSNK2BCSNK2A1KDRALDH1A1
SCHEMBL24175693 0.74 CSNK2A2 (0.47) CSNK2A2CSNK2BCSNK2A1KDRALDH1A1
SCHEMBL32685962 0.73 CDC7 (0.42) ALDH1A1HPGDKDM4EKMT2ANPC1
SCHEMBL1697956 0.72 DAO (0.42) ALDH1A1CCNCCDK8KDM4EKMT2A
SCHEMBL18769953 0.72 CCNC (0.44) CSNK2A2CSNK2BCSNK2A1KDRALDH1A1

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
EP-2576566-B1 THIENO(2,3B)PYRAZINE COMPOUNDS AS B-RAF INHIBITORS MERCK SHARP & DOHME (NL) 2015-10-28 EP disclosed
EP-2576566-B1 THIENO(2,3B)PYRAZINE COMPOUNDS AS B-RAF INHIBITORS MERCK SHARP & DOHME (NL) 2015-10-28 EP disclosed
US-8669256-B2 Substituted thieno[2,3-b]pyrazine compounds as modulators of B-Raf kinase activity MERCK SHARP & DOHME B.V. (NL) 2014-03-11 US disclosed
US-8669256-B2 Substituted thieno[2,3-b]pyrazine compounds as modulators of B-Raf kinase activity MERCK SHARP & DOHME B.V. (NL) 2014-03-11 US disclosed
EP-2576566-A1 THIENO (2, 3B) PYRAZINE COMPOUNDS AS B - RAF INHIBITORS MSD Oss B.V. (NL) 2013-04-10 EP disclosed
US-20130079341-A1 THIENO (2, 3B) PYRAZINE COMPOUNDS AS B-RAF INHIBITORS ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2013-03-28 US disclosed
US-20130079341-A1 THIENO (2, 3B) PYRAZINE COMPOUNDS AS B-RAF INHIBITORS ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2013-03-28 US disclosed
US-20130079341-A1 THIENO (2, 3B) PYRAZINE COMPOUNDS AS B-RAF INHIBITORS ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2013-03-28 US disclosed
WO-2011147764-A1 THIENO (2, 3B) PYRAZINE COMPOUNDS AS B - RAF INHIBITORS N.V. ORGANON (NL) 2011-12-01 WO disclosed
WO-2011147764-A1 THIENO (2, 3B) PYRAZINE COMPOUNDS AS B - RAF INHIBITORS N.V. ORGANON (NL) 2011-12-01 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 (1 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-20130079341-A1 THIENO (2, 3B) PYRAZINE COMPOUNDS AS B-RAF INHIBITORS BRAF, RAF1, ARAF CSNK2A2 767/4885CSNK2B 618/4885CSNK2A1 824/4885

“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.