SCHEMBL4332740

SCHEMBL4332740

CCOc1ccc(-c2noc(N)c2-c2ccncc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.62
MLYCD O95822 2/20 0.53
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPK9 P45984 2/20 0.47
MAPK10 P53779 2/20 0.47
MAPK11 Q15759 1/20 0.47
S1PR1 P21453 2/20 0.44

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
SCHEMBL1876811 0.86 MAPK14 (0.67) MAPK14MLYCDKDM4EHSD17B10CYP3A4
SCHEMBL4337249 0.85 MAPK14 (0.67) MAPK14MLYCDKDM4ENPC1RAB9A
SCHEMBL4335110 0.82 MAPK14 (0.67) MAPK14MLYCDNPC1ALDH1A1RAB9A
SCHEMBL4341533 0.80 MAPK14 (0.72) MAPK14MLYCDKDM4EHSD17B10MEN1
SCHEMBL4338190 0.78 MAPK14 (0.66) MAPK14MLYCDMAPK9MAPK10MAPK11
SCHEMBL27765845 0.77 MAPK14 (0.68) MAPK14MLYCDMAPK9MAPK10MAPK11
SCHEMBL6102776 0.77 MAPK14 (1.00) MAPK14MLYCDMAPK9MAPK10MAPK11
SCHEMBL4333467 0.77 MAPK14 (0.72) MAPK14MLYCDHSD17B10CYP3A4NPC1
SCHEMBL6090980 0.77 MAPK14 (1.00) MAPK14MLYCDMAPK9MAPK10MAPK11
SCHEMBL14990810 0.75 CYP3A4 (0.71) KDM4EHSD17B10CYP3A4CYP2D6MEN1

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
CN-101472921-B Pyridylisoxazole derivative ASKA PHARM CO LTD 2012-10-10 CN disclosed
US-8207203-B2 Pyridylisoxazole derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-06-26 US disclosed
US-20090306145-A1 Pyridylisoxazole Derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
CN-101472921-A Pyridylisoxazole derivative ASKA PHARM CO LTD (JP) 2009-07-01 CN disclosed
EP-2036905-A1 PYRIDYLISOXAZOLE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2009-03-18 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-20090306145-A1 Pyridylisoxazole Derivatives CNKSR1, MAPK1, MAPK3 MAPK14 43/4885MLYCD 4475/4885KDM4E 1377/4885

“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.