SCHEMBL4334629

SCHEMBL4334629

COc1ccc(-c2noc(NC(=O)C(C)c3ccccc3C)c2-c2ccncc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.51
HSP90AA1 P07900 9/20 0.49
MAPK14 Q16539 4/20 0.48
PTGS2 P35354 3/20 0.43

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
SCHEMBL4330151 0.90 HSP90AA1 (0.55) MLYCDHSP90AA1MAPK14
SCHEMBL4339564 0.84 MAPK14 (0.56) MLYCDHSP90AA1MAPK14
SCHEMBL4339591 0.84 MAPK14 (0.51) MLYCDHSP90AA1MAPK14
SCHEMBL4335618 0.83 HSP90AA1 (0.50) MLYCDHSP90AA1MAPK14PTGS2
SCHEMBL4347355 0.82 HSP90AA1 (0.55) MLYCDHSP90AA1MAPK14PTGS2
SCHEMBL4340366 0.81 MLYCD (0.44) MLYCDHSP90AA1MAPK14
SCHEMBL4470225 0.81 HSP90AA1 (0.54) MLYCDHSP90AA1MAPK14
SCHEMBL4346440 0.79 MLYCD (0.44) MLYCDHSP90AA1MAPK14
SCHEMBL4348725 0.79 MAPK14 (0.50) MLYCDHSP90AA1MAPK14
SCHEMBL4334626 0.79 MAPK14 (0.59) MLYCDHSP90AA1MAPK14PTGS2

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 MLYCD 4475/4885HSP90AA1 2550/4885MAPK14 43/4885

“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.