SCHEMBL1879684

SCHEMBL1879684

COc1ccc(-c2noc(NC(=O)Cc3ccccc3C)c2-c2ccncn2)c(F)c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.70
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47
MAPK11 Q15759 1/20 0.47
NPC1 O15118 1/20 0.41
CYP3A4 P08684 2/20 0.40
PRKACA P17612 1/20 0.40
ROCK1 Q13464 1/20 0.40
HSP90AA1 P07900 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL1882861 0.94 MAPK14 (0.69) MAPK14MAPK9MAPK10MAPK11CYP3A4
SCHEMBL12671557 0.91 MAPK14 (0.66) MAPK14MAPK9MAPK10MAPK11CYP3A4
SCHEMBL1877616 0.91 MAPK14 (0.70) MAPK14MAPK9MAPK10MAPK11CYP3A4
SCHEMBL1876247 0.91 MAPK14 (0.81) MAPK14MAPK9MAPK10MAPK11HSP90AA1
SCHEMBL1876013 0.90 MAPK14 (0.81) MAPK14MAPK9MAPK10MAPK11NPC1
SCHEMBL1882909 0.89 MAPK14 (0.69) MAPK14MAPK9MAPK10MAPK11CYP3A4
SCHEMBL1878351 0.86 MAPK14 (0.60) MAPK14MAPK9MAPK10MAPK11CYP3A4
SCHEMBL1881477 0.85 MAPK14 (0.79) MAPK14MAPK9MAPK10MAPK11
SCHEMBL1887388 0.85 MAPK14 (0.77) MAPK14MAPK9MAPK10MAPK11NPC1
SCHEMBL1872789 0.83 MAPK14 (0.74) MAPK14MAPK9MAPK10MAPK11NPC1

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.