SCHEMBL1880334

SCHEMBL1880334

Nc1onc(-c2cccc(Cl)c2)c1-c1ccncn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.61
MAPK9 P45984 2/20 0.61
MAPK10 P53779 2/20 0.61
MAPK11 Q15759 2/20 0.61
PTGS1 P23219 2/20 0.48
PTGS2 P35354 1/20 0.48
TDO2 P48775 1/20 0.42
GRM5 P41594 2/20 0.41
HTR7 P34969 1/20 0.40
NOTUM Q6P988 1/20 0.40
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 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
SCHEMBL1874745 0.89 MAPK14 (0.67) MAPK14MAPK9MAPK10MAPK11PTGS1
SCHEMBL1874142 0.85 MAPK14 (0.61) MAPK14MAPK9MAPK10MAPK11PTGS1
SCHEMBL1879874 0.85 MAPK14 (0.61) MAPK14MAPK9MAPK10MAPK11TDO2
SCHEMBL1878815 0.85 MAPK14 (0.72) MAPK14MAPK9MAPK10MAPK11GRM5
SCHEMBL1876999 0.84 MAPK14 (0.75) MAPK14MAPK9MAPK10MAPK11GRM5
SCHEMBL1878049 0.84 MAPK14 (0.74) MAPK14MAPK9MAPK10MAPK11PTGS1
SCHEMBL1885625 0.83 MAPK14 (0.66) MAPK14MAPK9MAPK10MAPK11GRM5
SCHEMBL1877177 0.82 MAPK14 (0.69) MAPK14MAPK9MAPK10MAPK11TDO2
SCHEMBL1876992 0.81 MAPK11 (0.57) MAPK14MAPK9MAPK10MAPK11TDO2
SCHEMBL1878819 0.81 MAPK14 (0.75) MAPK14MAPK9MAPK10MAPK11PTGS1

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.