SCHEMBL1880417

SCHEMBL1880417

Cc1cc(C)cc(-c2noc(N)c2-c2ccncn2)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.65
MAPK9 P45984 1/20 0.65
MAPK10 P53779 1/20 0.65
MAPK11 Q15759 1/20 0.65
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
MLYCD O95822 1/20 0.37
TDO2 P48775 3/20 0.36
BRD4 O60885 1/20 0.36
IDO1 P14902 1/20 0.33
GRM5 P41594 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL1874142 0.88 MAPK14 (0.61) MAPK14MAPK9MAPK10MAPK11NPC1
SCHEMBL1876030 0.87 MAPK14 (0.75) MAPK14MAPK9MAPK10MAPK11NPC1
SCHEMBL1874745 0.84 MAPK14 (0.67) MAPK14MAPK9MAPK10MAPK11MLYCD
SCHEMBL1871452 0.84 MAPK14 (0.66) MAPK14MAPK9MAPK10MAPK11NPC1
SCHEMBL4334970 0.82 MAPK14 (0.61) MAPK14MAPK9MAPK10MAPK11NPC1
SCHEMBL1878111 0.82 MAPK14 (0.71) MAPK14MAPK9MAPK10MAPK11MLYCD
SCHEMBL1878582 0.82 MAPK14 (0.63) MAPK14MAPK9MAPK10MAPK11NPC1
SCHEMBL1878049 0.81 MAPK14 (0.74) MAPK14MAPK9MAPK10MAPK11MLYCD
SCHEMBL1875462 0.81 MAPK14 (0.69) MAPK14MAPK9MAPK10MAPK11MLYCD
SCHEMBL1880937 0.81 MAPK14 (0.69) MAPK14MAPK9MAPK10MAPK11MLYCD

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.