SCHEMBL4332789

SCHEMBL4332789

Cc1cccc(CCC(=O)Nc2onc(-c3cccc(C)c3)c2-c2ccncc2)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.63
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
GLA P06280 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
LMNA P02545 1/20 0.40
MLYCD O95822 1/20 0.40

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
SCHEMBL4329415 0.95 MAPK14 (0.71) MAPK14MAPK1HTTKMT2ATSHR
SCHEMBL4341269 0.93 MAPK14 (0.58) MAPK14MAPK1HTTKMT2ATSHR
SCHEMBL4338186 0.90 MAPK14 (0.64) MAPK14TSHRMLYCD
SCHEMBL4335615 0.89 MAPK14 (0.62) MAPK14MAPK1KMT2AHPGD
SCHEMBL4335450 0.89 MAPK14 (0.57) MAPK14MAPK1HTTKMT2ATSHR
SCHEMBL4333445 0.87 MAPK14 (0.59) MAPK14MAPK1HTTKMT2ATSHR
SCHEMBL4337077 0.87 MAPK14 (0.60) MAPK14KMT2ATSHRLMNAMLYCD
SCHEMBL4335680 0.87 MAPK14 (0.70) MAPK14KMT2AKDM4EALDH1A1HPGD
SCHEMBL4330078 0.87 MAPK14 (0.73) MAPK14HCAR2LMNAMLYCD
SCHEMBL4335487 0.87 MAPK14 (0.71) MAPK14MAPK1HTTKMT2ATSHR

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-2036905-B1 PYRIDYLISOXAZOLE DERIVATIVE ASKA PHARM CO LTD (JP) 2012-12-12 EP 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
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 43/4885MAPK1 2/4885HTT 4822/4885

“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.