SCHEMBL1697985

SCHEMBL1697985

COC(=O)c1cc([N+](=O)[O-])c(N)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP10 Q14694 1/20 0.47
VCAM1 P19320 1/20 0.44
NPSR1 Q6W5P4 2/20 0.41
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
SETD7 Q8WTS6 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL28786633 0.83 USP10 (0.56) USP10NPSR1SETD7ALDH1A1HPGD
SCHEMBL426359 0.82 USP10 (0.51) USP10VCAM1NPSR1PDGFRBFGFR1
SCHEMBL3231061 0.82 USP10 (0.48) USP10VCAM1NPSR1PDGFRBFGFR1
SCHEMBL10533619 0.81 USP47 (0.52) USP10ALDH1A1LMNAMAPTTSHR
SCHEMBL3880847 0.81 USP10 (0.47) USP10VCAM1NPSR1PDGFRBFGFR1
SCHEMBL424946 0.81 USP10 (0.47) USP10VCAM1NPSR1PDGFRBFGFR1
SCHEMBL11318325 0.77 USP47 (0.37) USP10ALDH1A1LMNAMAPTTSHR
SCHEMBL14235182 0.77 ALOX15 (0.37) ALDH1A1LMNAMAPTTSHRMAPK1
SCHEMBL3890611 0.77 USP10 (0.44) USP10VCAM1NPSR1PDGFRBFGFR1
SCHEMBL19433565 0.77 LMNA (0.45) USP10VCAM1ALDH1A1HPGDLMNA

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 11 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
US-4211696-A Disperse monoazo dyestuffs derived from 3,5-dinitro-2-amino thiophene as disazo component and an arylamine coupling component IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-07-08 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 (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 USP10 4211/4885VCAM1 4082/4885NPSR1 4176/4885

“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.