SCHEMBL4334761

SCHEMBL4334761

COc1cccc(-c2noc(NC(=O)Cc3ccccc3Cl)c2-c2ccncc2)c1OC

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.54
HSP90AA1 P07900 3/20 0.45
ROCK2 O75116 3/20 0.44
ROCK1 Q13464 3/20 0.44
NPC1 O15118 1/20 0.44
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
MAPK11 Q15759 1/20 0.43
DGAT2 Q96PD7 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL4337029 0.93 MAPK14 (0.57) MAPK14HSP90AA1ROCK2ROCK1NPC1
SCHEMBL4343801 0.90 MAPK14 (0.58) MAPK14HSP90AA1ROCK2ROCK1NPC1
SCHEMBL1877374 0.90 MAPK14 (0.68) MAPK14HSP90AA1ROCK2ROCK1NPC1
SCHEMBL4330121 0.88 MAPK14 (0.64) MAPK14HSP90AA1NPC1MEN1KMT2A
SCHEMBL4518699 0.84 MAPK14 (0.58) MAPK14HSP90AA1MAPK9MAPK10MAPK11
SCHEMBL4342438 0.84 MAPK14 (0.60) MAPK14HSP90AA1NPC1MAPK9MAPK10
SCHEMBL4470925 0.84 MAPK14 (0.60) MAPK14HSP90AA1ROCK2ROCK1MAPK9
SCHEMBL4525548 0.84 MAPK14 (0.57) MAPK14HSP90AA1MAPK9MAPK10MAPK11
SCHEMBL4336216 0.84 MAPK14 (0.59) MAPK14HSP90AA1ROCK2NPC1MAPK9
SCHEMBL4332759 0.83 MAPK14 (0.61) MAPK14HSP90AA1MAPK9MAPK10MAPK11

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 43/4885HSP90AA1 2550/4885ROCK2 317/4885

“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.