SCHEMBL4337249

SCHEMBL4337249

COc1ccc(-c2noc(N)c2-c2ccncc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.67
MLYCD O95822 2/20 0.63
PTGS2 P35354 5/20 0.59
HSP90AA1 P07900 1/20 0.56
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SRC P12931 1/20 0.50
BRAF P15056 1/20 0.50
KDR P35968 1/20 0.50
PTGS1 P23219 1/20 0.49
PDE3A Q14432 1/20 0.49
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48

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
SCHEMBL15452545 0.85 MAPK14 (0.67) MAPK14MLYCDPTGS2HSP90AA1SRC
SCHEMBL4332740 0.85 MAPK14 (0.62) MAPK14MLYCDPTGS2NPC1RAB9A
SCHEMBL27744977 0.83 TP53 (0.60) MAPK14MLYCDHSP90AA1NPC1RAB9A
SCHEMBL1882263 0.83 MAPK14 (0.70) MAPK14MLYCDPTGS2HSP90AA1NPC1
SCHEMBL4341533 0.83 MAPK14 (0.72) MAPK14MLYCDPTGS2NPC1RAB9A
SCHEMBL4330105 0.82 MAPK14 (0.58) MAPK14MLYCDHSP90AA1NPC1RAB9A
SCHEMBL4338190 0.82 MAPK14 (0.66) MAPK14MLYCDPTGS2HSP90AA1
SCHEMBL4342202 0.80 MAPK14 (0.53) MAPK14MLYCDPTGS2HSP90AA1NPC1
SCHEMBL6102776 0.80 MAPK14 (1.00) MAPK14MLYCDSRCBRAFKDR
SCHEMBL4333467 0.80 MAPK14 (0.72) MAPK14MLYCDPTGS2NPC1RAB9A

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 43/4885MLYCD 4475/4885PTGS2 216/4885

“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.