SCHEMBL1697945

SCHEMBL1697945

CC(C)(C)OC(=O)Nc1cc2nccnc2s1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.39
CYP17A1 P05093 1/20 0.39
ATR Q13535 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 1/20 0.38
LCK P06239 7/20 0.38
MAP4K4 O95819 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
PSMB8 P28062 1/20 0.34

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
SCHEMBL1100453 0.80 METAP1 (0.47) METAP1CYP17A1ATRLCKKDM4E
SCHEMBL26115808 0.79 ATR (0.41) METAP1CYP17A1ATRCA1CA2
SCHEMBL31278313 0.79 ATR (0.41) METAP1CYP17A1ATRCA1CA2
SCHEMBL1697865 0.72 BRAF (0.42) METAP1CA1MAP4K4POLBCA12
SCHEMBL31418587 0.71 LCK (0.45) METAP1CA1CA2LCK
SCHEMBL15264820 0.71 ATR (0.48) METAP1CYP17A1ATRCA1CA2
SCHEMBL26542469 0.71 ATR (0.35) METAP1CYP17A1ATRCA1CA2
SCHEMBL14507524 0.70 CA1 (0.41) METAP1CYP17A1ATRCA1CA2
SCHEMBL8233779 0.70 LCK (0.41) CYP17A1CA1CA2LCKCA12
SCHEMBL289636 0.70 LCK (0.41) METAP1CYP17A1ATRCA1CA2

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 15 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
WO-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 WO disclosed
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 US disclosed
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 US disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 US disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 US 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 (3 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-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A METAP1 2625/4885CYP17A1 4639/4885ATR 188/4885
US-20130079341-A1 THIENO (2, 3B) PYRAZINE COMPOUNDS AS B-RAF INHIBITORS BRAF, RAF1, ARAF METAP1 4011/4885CYP17A1 2927/4885ATR 611/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 METAP1 1935/4885CYP17A1 4110/4885ATR 552/4885

“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.