SCHEMBL1875271

SCHEMBL1875271

COc1cccc(CC(=O)Nc2onc(-c3ccc(Cl)cc3)c2-c2ccncn2)c1OC

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.72
MAPK9 P45984 1/20 0.59
MAPK10 P53779 1/20 0.59
MAPK11 Q15759 1/20 0.59
TP53 P04637 1/20 0.43
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
THRB P10828 1/20 0.42
GLS O94925 1/20 0.40
TAS2R8 Q9NYW2 1/20 0.40

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
SCHEMBL1880321 0.92 MAPK14 (0.73) MAPK14MAPK9MAPK10MAPK11TP53
SCHEMBL1872239 0.92 MAPK14 (0.79) MAPK14MAPK9MAPK10MAPK11TP53
SCHEMBL1878876 0.88 MAPK14 (0.77) MAPK14MAPK9MAPK10MAPK11ROCK2
SCHEMBL1877528 0.88 MAPK14 (0.73) MAPK14MAPK9MAPK10MAPK11ROCK2
SCHEMBL1876876 0.85 MAPK14 (0.67) MAPK14MAPK9MAPK10MAPK11
SCHEMBL1877370 0.84 MAPK14 (0.80) MAPK14MAPK9MAPK10MAPK11TP53
SCHEMBL1878566 0.84 MAPK14 (0.83) MAPK14MAPK9MAPK10MAPK11
SCHEMBL1877374 0.84 MAPK14 (0.68) MAPK14MAPK9MAPK10MAPK11ROCK2
SCHEMBL1872548 0.84 MAPK14 (1.00) MAPK14MAPK9MAPK10MAPK11
SCHEMBL1883724 0.83 MAPK14 (0.59) MAPK14MAPK9MAPK10MAPK11GLS

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 29/4885MAPK9 20/4885MAPK10 51/4885

“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.