SCHEMBL1877374

SCHEMBL1877374

COc1cccc(-c2noc(NC(=O)Cc3ccccc3Cl)c2-c2ccncn2)c1OC

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.68
MAPK9 P45984 1/20 0.54
MAPK10 P53779 1/20 0.54
MAPK11 Q15759 1/20 0.54
NPC1 O15118 1/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
HSP90AA1 P07900 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL1883195 0.93 MAPK14 (0.72) MAPK14MAPK9MAPK10MAPK11NPC1
SCHEMBL1875371 0.90 MAPK14 (0.69) MAPK14MAPK9MAPK10MAPK11MEN1
SCHEMBL4334761 0.90 MAPK14 (0.54) MAPK14MAPK9MAPK10MAPK11NPC1
SCHEMBL1878350 0.88 MAPK14 (0.70) MAPK14MAPK9MAPK10MAPK11ROCK1
SCHEMBL1881124 0.87 MAPK14 (0.82) MAPK14MAPK9MAPK10MAPK11NPC1
SCHEMBL1885908 0.85 MAPK14 (0.74) MAPK14MAPK9MAPK10MAPK11NPC1
SCHEMBL1876445 0.85 MAPK14 (0.73) MAPK14MAPK9MAPK10MAPK11ROCK2
SCHEMBL1875627 0.84 MAPK14 (0.75) MAPK14MAPK9MAPK10MAPK11ROCK2
SCHEMBL1875271 0.84 MAPK14 (0.72) MAPK14MAPK9MAPK10MAPK11ROCK2
SCHEMBL1875504 0.84 MAPK14 (0.81) MAPK14MAPK9MAPK10MAPK11PTGS2

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.