SCHEMBL1697948

SCHEMBL1697948

Cc1ccc(NC(=O)c2cccc(C3(C#N)CCOCC3)c2)cc1NC(=O)c1cc2nccnc2s1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 1/20 0.44
BRAF P15056 7/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK14 Q16539 4/20 0.41
POLB P06746 1/20 0.40
SMO Q99835 1/20 0.40
RAF1 P04049 3/20 0.40
CSF1R P07333 1/20 0.40

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
SCHEMBL1697958 0.94 BRAF (0.48) HSF1BRAFTDP1LMNAHTT
SCHEMBL5009701 0.81 BRAF (0.61) HSF1BRAFTDP1MAPK14RAF1
SCHEMBL1697892 0.79 BRAF (0.56) BRAFRAF1
SCHEMBL30597768 0.79 HSF1 (0.67) HSF1BRAFMAPK14POLB
SCHEMBL26109315 0.79 HSF1 (0.67) HSF1BRAFMAPK14POLB
SCHEMBL12065267 0.77 BRAF (0.62) BRAFTDP1LMNAHTTL3MBTL1
SCHEMBL12065519 0.77 BRAF (0.55) BRAFTDP1LMNAHTTL3MBTL1
SCHEMBL1697984 0.76 BRAF (0.49) BRAFTDP1LMNAHTTL3MBTL1
SCHEMBL1698036 0.75 BRAF (0.47) HSF1BRAFTDP1LMNAHTT
SCHEMBL12065132 0.74 MAPK14 (0.53) BRAFTDP1LMNAHTTL3MBTL1

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 7 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
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-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 HSF1 626/4885BRAF 1/4885TDP1 2297/4885

“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.