SCHEMBL1697963

SCHEMBL1697963

Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1NC(=O)c1cc2nc(NCCN(C)C)cnc2s1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.53
CYP2C9 P11712 3/20 0.49
RAF1 P04049 1/20 0.47
YES1 P07947 1/20 0.47

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
SCHEMBL12065520 0.95 BRAF (0.48) BRAFCYP2C9RAF1YES1
SCHEMBL1697871 0.94 BRAF (0.53) BRAFCYP2C9RAF1YES1
Hydrochloric Acid SCHEMBL1697902 0.94 BRAF (0.53) BRAFCYP2C9RAF1YES1
SCHEMBL1697913 0.91 BRAF (0.53) BRAFCYP2C9RAF1YES1
SCHEMBL1697937 0.89 BRAF (0.59) BRAFCYP2C9RAF1YES1
SCHEMBL14801776 0.87 BRAF (0.49) BRAFCYP2C9RAF1YES1
SCHEMBL1698046 0.87 BRAF (0.49) BRAFCYP2C9RAF1YES1
SCHEMBL14801731 0.87 BRAF (0.53) BRAFCYP2C9RAF1YES1
SCHEMBL14801922 0.86 BRAF (0.57) BRAFCYP2C9RAF1YES1
SCHEMBL1697947 0.86 BRAF (0.57) 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 5 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
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
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.