SCHEMBL1880930

SCHEMBL1880930

COc1ccccc1-c1noc(N)c1-c1ccncn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.56
MAPK9 P45984 1/20 0.56
MAPK10 P53779 1/20 0.56
MAPK11 Q15759 1/20 0.56
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 2/20 0.42
NPC1 O15118 2/20 0.42
GAA P10253 2/20 0.42
HSD17B10 Q99714 4/20 0.41
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.41
HTR7 P34969 1/20 0.41
ADORA2A P29274 2/20 0.40
ADORA1 P30542 1/20 0.40
UGCG Q16739 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
LMNA P02545 2/20 0.39
CYP2D6 P10635 2/20 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
SCHEMBL1873514 0.89 MAPK14 (0.53) MAPK14MAPK9MAPK10MAPK11RAB9A
SCHEMBL4480878 0.83 MAPK14 (0.55) MAPK14RAB9ASMN1; SMN2TP53NPC1
SCHEMBL1877430 0.83 MAPK14 (0.56) MAPK14MAPK9MAPK10MAPK11RAB9A
SCHEMBL1877688 0.81 MAPK14 (0.56) MAPK14MAPK9MAPK10MAPK11RAB9A
SCHEMBL1877244 0.80 MAPK14 (0.55) MAPK14MAPK9MAPK10MAPK11RAB9A
SCHEMBL1874890 0.79 MAPK14 (0.62) MAPK14MAPK9MAPK10MAPK11RAB9A
SCHEMBL1879545 0.79 MAPK14 (0.54) MAPK14MAPK9MAPK10MAPK11CYP1A2
SCHEMBL8154563 0.78 CCNT1 (0.52) RAB9ASMN1; SMN2TP53NPC1GAA
SCHEMBL30141974 0.78 CCNT1 (0.52) RAB9ASMN1; SMN2TP53NPC1GAA
SCHEMBL30831604 0.78 CCNT1 (0.52) RAB9ASMN1; SMN2TP53NPC1GAA

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.