SCHEMBL1875864

SCHEMBL1875864

Nc1onc(-c2ccc(F)cc2)c1-c1ncccn1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.66
MAPK9 P45984 2/20 0.63
MAPK10 P53779 2/20 0.63
MAPK11 Q15759 1/20 0.63
LMNA P02545 1/20 0.46
MLYCD O95822 3/20 0.44
CSNK1D P48730 1/20 0.43
PTGS2 P35354 5/20 0.42
TDO2 P48775 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 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
SCHEMBL1881013 0.81 MAPK14 (0.54) MAPK14MAPK9MAPK10MAPK11LMNA
SCHEMBL6102776 0.79 MAPK14 (1.00) MAPK14MAPK9MAPK10MAPK11MLYCD
SCHEMBL6090980 0.79 MAPK14 (1.00) MAPK14MAPK9MAPK10MAPK11MLYCD
SCHEMBL1877626 0.79 MAPK14 (0.52) MAPK14MAPK9MAPK10MAPK11LMNA
SCHEMBL1877377 0.78 MAPK14 (1.00) MAPK14MAPK9MAPK10MAPK11LMNA
SCHEMBL4329223 0.78 MAPK14 (0.69) MAPK14MAPK9MAPK10MAPK11LMNA
SCHEMBL4334618 0.76 MAPK14 (0.66) MAPK14MAPK9MAPK10MAPK11LMNA
SCHEMBL4333428 0.76 MAPK14 (0.66) MAPK14MAPK9MAPK10MAPK11LMNA
SCHEMBL4334939 0.73 MAPK14 (0.62) MAPK14MAPK9MAPK10MAPK11LMNA
SCHEMBL15452545 0.73 MAPK14 (0.67) MAPK14MAPK9MAPK10MAPK11LMNA

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 5 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
CN-101080404-B Pyrimidinylisoxazole Derivatives ASKA PHARM CO LTD 2011-06-08 CN 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.