SCHEMBL5460419

SCHEMBL5460419

COC(=O)c1sc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)c(C#N)c1C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 13/20 0.50
▸ MAPK13 O15264 6/20 0.49
▸ MAPK12 P53778 5/20 0.49
▸ MAPK11 Q15759 5/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ DDR2 Q16832 2/20 0.47
▸ PTK2 Q05397 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ PTK2B Q14289 1/20 0.45
▸ CDK8 P49336 1/20 0.45

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
SCHEMBL5475413 0.86 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL5460323 0.79 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3621438 0.74 CDK8 (0.67) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL5464279 0.74 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL5453772 0.73 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL5161577 0.73 MAPK13 (0.50) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL5468993 0.73 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL5482295 0.72 MAPK13 (0.49) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL5453010 0.72 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL14544028 0.72 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11DDR2

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
US-20070082898-A1 5 Amino-2-carbonylthiophene derivatives for use as p38 map kinase inhibitors in the treatment of inflammatory diseases ASTEX THERAPEUTICS LIMITED (GB) 2007-04-12 — — US claimed
JP-2006522784-A — — 2006-10-05 — — JP claimed
WO-2006040569-A1 THIOPHENE AMIDE COMPOUNDS FOR USE IN THE TREATMENT OR PROPHYLAXIS OF CANCERS ASTEX THERAPEUTICS LIMITED (GB) 2006-04-20 — — WO claimed
EP-1615907-A1 5-AMINO-2-CARBONYLTHIOPHENE DERIVATIVES FOR USE AS P38 MAP KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATORY DISEASES Astex Therapeutics Limited (GB) 2006-01-18 — — EP claimed
WO-2004089929-A1 5-AMINO-2-CARBONYLTHIOPHENE DERIVATIVES FOR USE AS P38 MAP KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATORY DISEASES ASTEX THERAPEUTICS LIMITED (GB) 2004-10-21 — — WO claimed
US-20070082898-A1 5 Amino-2-carbonylthiophene derivatives for use as p38 map kinase inhibitors in the treatment of inflammatory diseases ASTEX THERAPEUTICS LIMITED (GB) 2007-04-12 — — US disclosed
US-20070082898-A1 5 Amino-2-carbonylthiophene derivatives for use as p38 map kinase inhibitors in the treatment of inflammatory diseases ASTEX THERAPEUTICS LIMITED (GB) 2007-04-12 — — US disclosed
US-20070082898-A1 5 Amino-2-carbonylthiophene derivatives for use as p38 map kinase inhibitors in the treatment of inflammatory diseases ASTEX THERAPEUTICS LIMITED (GB) 2007-04-12 — — US disclosed
WO-2006040569-A1 THIOPHENE AMIDE COMPOUNDS FOR USE IN THE TREATMENT OR PROPHYLAXIS OF CANCERS ASTEX THERAPEUTICS LIMITED (GB) 2006-04-20 — — WO disclosed
EP-1615907-A1 5-AMINO-2-CARBONYLTHIOPHENE DERIVATIVES FOR USE AS P38 MAP KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATORY DISEASES Astex Therapeutics Limited (GB) 2006-01-18 — — EP disclosed
WO-2004089929-A1 5-AMINO-2-CARBONYLTHIOPHENE DERIVATIVES FOR USE AS P38 MAP KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATORY DISEASES ASTEX THERAPEUTICS LIMITED (GB) 2004-10-21 — — 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-20070082898-A1 5 Amino-2-carbonylthiophene derivatives for use as p38 map kinase inhibitors in the treatment of inflammatory diseases CNKSR1, NOX5, NOX1 MAPK14 168/4885MAPK13 95/4885MAPK12 85/4885

“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.

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