SCHEMBL1874652

SCHEMBL1874652

Nc1onc(-c2ccc(F)cc2F)c1-c1ccncn1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.68
MAPK9 P45984 3/20 0.68
MAPK10 P53779 2/20 0.68
MAPK11 Q15759 2/20 0.68
KIT P10721 1/20 0.37
KMO O15229 2/20 0.36
MAP4K4 O95819 1/20 0.36
EGFR P00533 1/20 0.36
FRK P42685 1/20 0.36
CSNK1A1 P48729 1/20 0.36
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
CASP6 P55212 1/20 0.34

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
SCHEMBL1872720 0.88 MAPK14 (0.65) MAPK14MAPK9MAPK10MAPK11MAP4K4
SCHEMBL1875685 0.88 MAPK14 (0.58) MAPK14MAPK9MAPK10MAPK11KMO
SCHEMBL1876417 0.87 MAPK14 (0.64) MAPK14MAPK9MAPK10MAPK11MAP4K4
SCHEMBL1878660 0.85 MAPK14 (0.56) MAPK14MAPK9MAPK10MAPK11ALOX5AP
SCHEMBL1872716 0.85 MAPK14 (0.69) MAPK14MAPK9MAPK10MAPK11MAP4K4
SCHEMBL1874828 0.84 MAPK14 (0.55) MAPK14MAPK9MAPK10MAPK11KIT
SCHEMBL1877363 0.83 MAPK14 (0.62) MAPK14MAPK9MAPK10MAPK11MAP4K4
SCHEMBL1877377 0.81 MAPK14 (1.00) MAPK14MAPK9MAPK10MAPK11MAP4K4
SCHEMBL1883709 0.80 MAPK14 (0.58) MAPK14MAPK9MAPK10MAPK11MAP4K4
SCHEMBL1883835 0.80 MAPK14 (0.61) MAPK14MAPK9MAPK10MAPK11

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.