SCHEMBL1877952

SCHEMBL1877952

COc1cccc(-c2noc(NC(=O)Cc3ccccc3)c2-c2ccncn2)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.68
CYP3A4 P08684 3/20 0.55
PRKACA P17612 3/20 0.55
ROCK1 Q13464 3/20 0.55
MAPK9 P45984 1/20 0.51
MAPK10 P53779 1/20 0.51
MAPK11 Q15759 1/20 0.51
USP2 O75604 1/20 0.47
RIOK2 Q9BVS4 1/20 0.47
MAPT P10636 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL1875081 0.91 MAPK14 (0.68) MAPK14CYP3A4PRKACAROCK1MAPK9
SCHEMBL1880127 0.91 MAPK14 (0.68) MAPK14CYP3A4PRKACAROCK1MAPK9
SCHEMBL1882630 0.90 MAPK14 (0.78) MAPK14CYP3A4PRKACAROCK1MAPK9
SCHEMBL1877622 0.90 MAPK14 (0.57) MAPK14CYP3A4PRKACAROCK1MAPK9
SCHEMBL27744892 0.89 MAPK14 (0.66) MAPK14CYP3A4PRKACAROCK1USP2
SCHEMBL1884134 0.88 MAPK14 (0.77) MAPK14CYP3A4PRKACAROCK1MAPK9
SCHEMBL1871374 0.88 MAPK14 (0.72) MAPK14CYP3A4PRKACAROCK1MAPK9
SCHEMBL1875074 0.88 MAPK14 (0.80) MAPK14CYP3A4PRKACAROCK1MAPK9
SCHEMBL1880828 0.88 MAPK14 (0.86) MAPK14PRKACAROCK1MAPK9MAPK10
SCHEMBL1875722 0.88 MAPK14 (0.71) MAPK14CYP3A4PRKACAROCK1MAPK9

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 29/4885CYP3A4 1031/4885PRKACA 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.