SCHEMBL1697994

SCHEMBL1697994

CC(=O)c1cc(NC(=O)c2cccc(C(C)(C)C#N)c2)ccc1C

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.74
CYP2C9 P11712 5/20 0.74
RAF1 P04049 2/20 0.54
YES1 P07947 1/20 0.54
ABL1 P00519 1/20 0.53
LCK P06239 1/20 0.53
KIT P10721 1/20 0.53
SRC P12931 1/20 0.53
MAPK14 Q16539 1/20 0.53

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
SCHEMBL1697918 0.92 BRAF (0.73) BRAFCYP2C9RAF1YES1ABL1
SCHEMBL3941881 0.90 BRAF (0.71) BRAFCYP2C9
SCHEMBL14819854 0.89 BRAF (0.69) BRAFCYP2C9RAF1YES1
SCHEMBL1698053 0.88 BRAF (0.68) BRAFCYP2C9RAF1YES1
SCHEMBL1698108 0.88 BRAF (0.68) BRAFCYP2C9RAF1YES1
SCHEMBL1698161 0.87 BRAF (0.67) BRAFCYP2C9RAF1YES1
SCHEMBL2196658 0.87 BRAF (0.66) BRAFCYP2C9RAF1YES1
SCHEMBL1698068 0.86 BRAF (0.65) BRAFCYP2C9RAF1YES1
SCHEMBL13736827 0.86 BRAF (0.65) BRAFCYP2C9RAF1YES1
SCHEMBL1697887 0.86 BRAF (0.68) BRAFCYP2C9RAF1YES1

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
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
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

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 BRAF 1/4885CYP2C9 1920/4885RAF1 2/4885

“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.