SCHEMBL1698104

SCHEMBL1698104

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc2nccnc2s1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
KDM4E B2RXH2 2/20 0.66
BRAF P15056 6/20 0.65
CSF1R P07333 3/20 0.64
POLB P06746 3/20 0.63
LCK P06239 2/20 0.63
MAPK14 Q16539 2/20 0.63
KIT P10721 2/20 0.63
SRC P12931 1/20 0.63
HTT P42858 1/20 0.62
APEX1 P27695 1/20 0.60
RAF1 P04049 2/20 0.59
ATM Q13315 1/20 0.57
DDR1 Q08345 1/20 0.54
DDR2 Q16832 1/20 0.54
KDR P35968 1/20 0.54

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
SCHEMBL1697953 0.86 BRAF (0.58) MAPTKDM4EBRAFCSF1RKIT
SCHEMBL12065267 0.85 BRAF (0.62) MAPTKDM4EBRAFCSF1RPOLB
SCHEMBL1698180 0.84 BRAF (0.55) MAPTKDM4EBRAFCSF1RKIT
SCHEMBL1698238 0.83 BRAF (0.57) MAPTKDM4EBRAFCSF1RLCK
SCHEMBL12065519 0.81 BRAF (0.55) BRAFCSF1RKITHTTKDR
SCHEMBL1697895 0.81 BRAF (0.55) BRAFMAPK14
SCHEMBL1697898 0.81 KDM4E (0.68) MAPTKDM4EBRAFCSF1RPOLB
SCHEMBL1697892 0.81 BRAF (0.56) BRAFRAF1
SCHEMBL1698137 0.80 BRAF (0.64) BRAFCSF1RLCKMAPK14KIT
SCHEMBL1698123 0.79 BRAF (0.52) BRAFCSF1RLCKMAPK14HTT

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
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 MAPT 3752/4885KDM4E 2580/4885BRAF 1/4885

“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.