SCHEMBL1878129

SCHEMBL1878129

COc1cccc(CC(=O)Nc2onc(-c3ccc(F)c(C)c3)c2-c2ccncn2)c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.71
MAPK9 P45984 1/20 0.55
MAPK10 P53779 1/20 0.55
MAPK11 Q15759 1/20 0.55
ROCK1 Q13464 5/20 0.54
CYP3A4 P08684 4/20 0.54
PRKACA P17612 4/20 0.54
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ROCK2 O75116 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
SCHEMBL1876209 0.93 MAPK14 (0.72) MAPK14MAPK9MAPK10MAPK11ROCK1
SCHEMBL1880725 0.90 MAPK14 (0.76) MAPK14MAPK9MAPK10MAPK11ROCK1
SCHEMBL1878323 0.90 MAPK14 (0.76) MAPK14MAPK9MAPK10MAPK11ROCK1
SCHEMBL1880858 0.90 MAPK14 (0.76) MAPK14MAPK9MAPK10MAPK11ROCK1
SCHEMBL1879778 0.89 MAPK14 (0.82) MAPK14MAPK9MAPK10MAPK11ROCK1
SCHEMBL1880127 0.89 MAPK14 (0.68) MAPK14MAPK9MAPK10MAPK11ROCK1
SCHEMBL1876679 0.89 MAPK14 (0.66) MAPK14MAPK9MAPK10MAPK11ROCK1
SCHEMBL1871257 0.88 MAPK14 (0.56) MAPK14MAPK9MAPK10MAPK11ROCK1
SCHEMBL1882621 0.87 MAPK14 (0.60) MAPK14MAPK9MAPK10MAPK11ROCK1
SCHEMBL1872914 0.87 MAPK14 (0.69) MAPK14MAPK9MAPK10MAPK11ROCK1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1832584-B1 PYRIMIDINYLISOXAZOLE DERIVATIVE ASKA PHARM CO LTD (JP) 2011-12-21 EP claimed
US-7939536-B2 5-[(2-chlorophenyl)acetylamino]-3-(4-fluorophenyl)-4-(4-pyrimidinyl)isoxazole; p 38MAP kinase inhibitor; tumor necrosis factor, interleukin, or cyclooxygenase-II related diseases; antiinflammatory, anticarcinogenic, antidiabetic agent ASKA PHARMACEUTICAL CO., LTD. (JP) 2011-05-10 US claimed
US-20100092565-A1 PHARMACEUTICAL COMPOSITION COMPRISING MICROPARTICLE OILY SUSPENSION ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US claimed
EP-2123255-A1 PHARMACEUTICAL COMPOSITION CONTAINING FINE PARTICLE OIL-BASED SUSPENSION ASKA Pharmaceutical Co., Ltd. (JP) 2009-11-25 EP claimed
US-20090192164-A1 Treating agent of inflammatory bowel disease ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-07-30 US claimed
EP-2044957-A1 TREATMENT AGENT FOR INFLAMMATORY BOWEL DISEASE ASKA Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP claimed
US-20080114003-A1 Pyrimidinylisoxazole Derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-15 US claimed
EP-1832584-A1 PYRIMIDINYLISOXAZOL DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2007-09-12 EP claimed
US-8309138-B2 Pharmaceutical composition comprising microparticle oily suspension ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-13 US disclosed
EP-1832584-B1 PYRIMIDINYLISOXAZOLE DERIVATIVE ASKA PHARM CO LTD (JP) 2011-12-21 EP disclosed
US-7939536-B2 5-[(2-chlorophenyl)acetylamino]-3-(4-fluorophenyl)-4-(4-pyrimidinyl)isoxazole; p 38MAP kinase inhibitor; tumor necrosis factor, interleukin, or cyclooxygenase-II related diseases; antiinflammatory, anticarcinogenic, antidiabetic agent ASKA PHARMACEUTICAL CO., LTD. (JP) 2011-05-10 US disclosed
US-7939536-B2 5-[(2-chlorophenyl)acetylamino]-3-(4-fluorophenyl)-4-(4-pyrimidinyl)isoxazole; p 38MAP kinase inhibitor; tumor necrosis factor, interleukin, or cyclooxygenase-II related diseases; antiinflammatory, anticarcinogenic, antidiabetic agent ASKA PHARMACEUTICAL CO., LTD. (JP) 2011-05-10 US disclosed
US-7939536-B2 5-[(2-chlorophenyl)acetylamino]-3-(4-fluorophenyl)-4-(4-pyrimidinyl)isoxazole; p 38MAP kinase inhibitor; tumor necrosis factor, interleukin, or cyclooxygenase-II related diseases; antiinflammatory, anticarcinogenic, antidiabetic agent ASKA PHARMACEUTICAL CO., LTD. (JP) 2011-05-10 US disclosed
US-20100092565-A1 PHARMACEUTICAL COMPOSITION COMPRISING MICROPARTICLE OILY SUSPENSION ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
EP-2044957-A1 TREATMENT AGENT FOR INFLAMMATORY BOWEL DISEASE ASKA Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
US-20080114003-A1 Pyrimidinylisoxazole Derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-15 US disclosed
US-20080114003-A1 Pyrimidinylisoxazole Derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-15 US disclosed
US-20080114003-A1 Pyrimidinylisoxazole Derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-15 US disclosed
EP-1832584-A1 PYRIMIDINYLISOXAZOL DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2007-09-12 EP disclosed
EP-1832584-A1 PYRIMIDINYLISOXAZOL DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2007-09-12 EP 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-20080114003-A1 Pyrimidinylisoxazole Derivatives MAPK3, MAPK7, MAP3K7 MAPK14 29/4885MAPK9 20/4885MAPK10 51/4885
US-20090192164-A1 Treating agent of inflammatory bowel disease MAPK6, SLC10A2, MAP3K6 MAPK14 13/4885MAPK9 33/4885MAPK10 5/4885
US-20100092565-A1 PHARMACEUTICAL COMPOSITION COMPRISING MICROPARTICLE OILY SUSPENSION LIPA, SI, PNLIP MAPK14 3713/4885MAPK9 2306/4885MAPK10 3350/4885

“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.