SCHEMBL1697927

SCHEMBL1697927

CCOC(=O)c1sc2nccnc2c1NC(=O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.48
KDM4E B2RXH2 9/20 0.46
MAPT P10636 6/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 5/20 0.46
GAA P10253 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CDC7 O00311 3/20 0.40
DBF4 Q9UBU7 3/20 0.40
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CRHBP P24387 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL1697901 0.76 KDM4E (0.41) TRPM8KDM4EMAPTALDH1A1HPGD
SCHEMBL7844280 0.76 ALDH1A1 (0.42) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL1697915 0.75 KDM4E (0.46) TRPM8KDM4EMAPTALDH1A1HPGD
SCHEMBL7848003 0.75 KDM4E (0.37) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL1697854 0.74 KDM4E (0.38) TRPM8KDM4EMAPTALDH1A1HPGD
SCHEMBL1697873 0.74 KDM4E (0.54) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL29199761 0.71 TRPM8 (0.35) TRPM8KDM4EMAPTALDH1A1HPGD
SCHEMBL15962479 0.69 MAPK8 (0.60) TRPM8KDM4EMAPTALDH1A1HPGD
SCHEMBL14302410 0.68 TP53 (0.42) TRPM8KDM4EMAPTALDH1A1HPGD
SCHEMBL12428741 0.66 TRPM8 (0.61) TRPM8KDM4EMAPTALDH1A1HPGD

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 TRPM8 3891/4885KDM4E 2580/4885MAPT 3752/4885

“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.