SCHEMBL1880127

SCHEMBL1880127

COc1cccc(CC(=O)Nc2onc(-c3cccc(C)c3)c2-c2ccncn2)c1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.68
ROCK1 Q13464 8/20 0.57
PRKACA P17612 7/20 0.57
CYP3A4 P08684 4/20 0.57
MAPK9 P45984 1/20 0.49
MAPK10 P53779 1/20 0.49
MAPK11 Q15759 1/20 0.49

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
SCHEMBL1878885 0.94 MAPK14 (0.69) MAPK14ROCK1PRKACACYP3A4MAPK9
SCHEMBL1876160 0.92 MAPK14 (0.76) MAPK14ROCK1PRKACACYP3A4MAPK9
SCHEMBL1877622 0.91 MAPK14 (0.57) MAPK14ROCK1PRKACACYP3A4MAPK9
SCHEMBL1877952 0.91 MAPK14 (0.68) MAPK14ROCK1PRKACACYP3A4MAPK9
SCHEMBL1884134 0.89 MAPK14 (0.77) MAPK14ROCK1PRKACACYP3A4MAPK9
SCHEMBL1878129 0.89 MAPK14 (0.71) MAPK14ROCK1PRKACACYP3A4MAPK9
SCHEMBL1876679 0.88 MAPK14 (0.66) MAPK14ROCK1PRKACACYP3A4MAPK9
SCHEMBL1880725 0.88 MAPK14 (0.76) MAPK14ROCK1PRKACACYP3A4MAPK9
SCHEMBL1878659 0.88 MAPK14 (0.70) MAPK14ROCK1PRKACACYP3A4MAPK9
SCHEMBL1879602 0.88 MAPK14 (0.70) MAPK14ROCK1PRKACACYP3A4MAPK9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20080114003-A1 Pyrimidinylisoxazole Derivatives MAPK3, MAPK7, MAP3K7 MAPK14 29/4885ROCK1 399/4885PRKACA 129/4885

“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.