SCHEMBL4332767

SCHEMBL4332767

O=C(Cc1ccccc1)Nc1onc(-c2cccc(C(F)(F)F)c2)c1-c1ccncc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.69
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
MLYCD O95822 2/20 0.45
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 1/20 0.44
XBP1 P17861 1/20 0.44
ALOX12 P18054 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
FLT1 P17948 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL4332612 0.88 MAPK14 (0.62) MAPK14MLYCD
SCHEMBL4485446 0.86 MAPK14 (0.66) MAPK14MEN1KMT2AMAPTMLYCD
SCHEMBL4339734 0.86 MAPK14 (0.66) MAPK14MEN1KMT2AMAPTMLYCD
SCHEMBL4332791 0.86 MAPK14 (0.66) MAPK14FLT1
SCHEMBL4332734 0.85 MAPK14 (0.87) MAPK14MAPTMLYCDALDH1A1
SCHEMBL27765846 0.85 MAPK14 (0.70) MAPK14ALDH1A1
SCHEMBL4335680 0.85 MAPK14 (0.70) MAPK14MEN1KMT2AKDM4EALDH1A1
SCHEMBL4339520 0.85 MAPK14 (0.72) MAPK14MLYCD
SCHEMBL4340549 0.85 MAPK14 (0.85) MAPK14MEN1KMT2AMLYCD
SCHEMBL4334943 0.84 MAPK14 (0.77) MAPK14ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 43/4885MEN1 4811/4885KMT2A 1943/4885

“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.