SCHEMBL1697934

SCHEMBL1697934

COC(=O)c1cc2ncc(=O)[nH]c2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.40
CSNK2A2 P19784 2/20 0.40
CSNK2B P67870 2/20 0.40
KDR P35968 1/20 0.40
HPGD P15428 4/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 2/20 0.37
MAPKAPK2 P49137 1/20 0.36
RPS6KA3 P51812 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 2/20 0.35
MAPK1 P28482 2/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
PAK4 O96013 1/20 0.34
AKT1 P31749 1/20 0.34
PLK1 P53350 1/20 0.34
OPRD1 P41143 1/20 0.34

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
SCHEMBL25402627 0.77 CSNK2A2 (0.43) CSNK2A1CSNK2A2CSNK2BKDRHPGD
SCHEMBL1697894 0.77 CSNK2A2 (0.47) CSNK2A1CSNK2A2CSNK2BKDRHPGD
SCHEMBL31330132 0.72 KDM4E (0.40) CSNK2A1CSNK2A2CSNK2BKDRHPGD
SCHEMBL22859510 0.69 GRIN3B (0.55) CSNK2A1CSNK2A2CSNK2BKDRHPGD
SCHEMBL4202219 0.68 HTT (0.56) CSNK2A1HPGDALDH1A1KDM4EMAPK1
SCHEMBL1698121 0.68 CSNK2A2 (0.43) CSNK2A1CSNK2A2CSNK2BKDRHPGD
SCHEMBL12895640 0.67 CSNK2A2 (0.56) CSNK2A1CSNK2A2CSNK2BKDRHPGD
SCHEMBL22859606 0.67 GRIN3B (0.57) CSNK2A1CSNK2A2CSNK2BKDRHPGD
SCHEMBL29521381 0.67 GRIN3B (0.57) CSNK2A1CSNK2A2CSNK2BKDRHPGD
SCHEMBL25268986 0.67 ICAM1 (0.43) CSNK2A1CSNK2A2CSNK2BKDRHPGD

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 CSNK2A1 824/4885CSNK2A2 767/4885CSNK2B 618/4885

“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.