SCHEMBL4335598

SCHEMBL4335598

O=C(Cc1ccccc1)Nc1onc(-c2cccc3ccccc23)c1-c1ccncc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.67
PRKACA P17612 1/20 0.45
ROCK1 Q13464 1/20 0.45
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 1/20 0.42
PPARG P37231 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
WNT3A P56704 1/20 0.42
GAA P10253 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
SCHEMBL4482965 0.90 MAPK14 (0.68) MAPK14ALDH1A1HPGDHSD17B10MAPT
SCHEMBL1880630 0.88 MAPK14 (0.77) MAPK14PRKACAROCK1ALDH1A1MAPT
SCHEMBL4339299 0.87 MAPK14 (0.60) MAPK14ALDH1A1NPC1RAB9A
SCHEMBL4332734 0.86 MAPK14 (0.87) MAPK14PRKACAROCK1ALDH1A1HPGD
SCHEMBL4333303 0.85 MAPK14 (0.69) MAPK14PRKACAROCK1ALDH1A1HPGD
SCHEMBL4341812 0.85 MAPK14 (0.66) MAPK14PRKACAROCK1HPGD
SCHEMBL4331958 0.85 MAPK14 (0.71) MAPK14PRKACAROCK1ALDH1A1HPGD
SCHEMBL27744890 0.84 MAPK14 (0.67) MAPK14PRKACAROCK1ALDH1A1HPGD
SCHEMBL4343803 0.83 MAPK14 (0.69) MAPK14PRKACAROCK1
SCHEMBL4335478 0.83 MAPK14 (0.68) MAPK14ALDH1A1POLBMAPTKDM4E

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
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
CN-101472921-A Pyridylisoxazole derivative ASKA PHARM CO LTD (JP) 2009-07-01 CN 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 43/4885PRKACA 118/4885ROCK1 355/4885

“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.