SCHEMBL4332734

SCHEMBL4332734

O=C(Cc1ccccc1)Nc1onc(-c2ccncc2)c1-c1ccncc1

nearest known ligand 0.87

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.87
PRKACA P17612 1/20 0.50
ROCK1 Q13464 1/20 0.50
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MLYCD O95822 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
PPARG P37231 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NR2E3 Q9Y5X4 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
MAPK11 Q15759 1/20 0.46
KDM6B O15054 1/20 0.45
KDM4D Q6B0I6 1/20 0.45
KDM4C Q9H3R0 1/20 0.45

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
SCHEMBL4340549 0.96 MAPK14 (0.85) MAPK14PRKACAROCK1MLYCD
SCHEMBL4328430 0.93 MAPK14 (0.80) MAPK14PRKACAROCK1MLYCDMAPK9
SCHEMBL27744885 0.92 MAPK14 (0.79) MAPK14PRKACAROCK1MLYCDMAPK9
SCHEMBL4341302 0.92 MAPK14 (0.79) MAPK14PRKACAROCK1MLYCD
SCHEMBL4339268 0.91 MAPK14 (0.74) MAPK14PRKACAROCK1ALDH1A1POLB
SCHEMBL4335365 0.90 MAPK14 (0.76) MAPK14ALDH1A1MAPT
SCHEMBL4341287 0.90 MAPK14 (0.72) MAPK14PRKACAROCK1ALDH1A1POLB
SCHEMBL4338184 0.89 MAPK14 (0.77) MAPK14PRKACAROCK1ALDH1A1POLB
SCHEMBL4342410 0.89 MAPK14 (0.74) MAPK14PRKACAROCK1ALDH1A1MLYCD
SCHEMBL4333098 0.89 MAPK14 (0.74) MAPK14PRKACAROCK1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11576914-B2 Drug for treating or preventing disorder caused by TGF-β signaling, and application thereof THE DOSHISHA (JP) 2023-02-14 US disclosed
US-20210008067-A1 DRUG FOR TREATING OR PREVENTING DISORDER CAUSED BY TGF-ß SIGNALLING, AND APPLICATION THEREOF THE DOSHISHA (JP) 2021-01-14 US disclosed
EP-3659626-A1 DRUG FOR TREATING OR PREVENTING DISORDER CAUSED BY TGF- SIGNALLING, AND APPLICATION THEREOF The Doshisha (JP) 2020-06-03 EP disclosed
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 (3 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
US-11576914-B2 Drug for treating or preventing disorder caused by TGF-β signaling, and application thereof TGFBR1, FIBP, TGFB1 MAPK14 133/4885PRKACA 321/4885ROCK1 967/4885
US-20210008067-A1 DRUG FOR TREATING OR PREVENTING DISORDER CAUSED BY TGF-ß SIGNALLING, AND APPLICATION THEREOF TGFBR1, TGFB1, FIBP MAPK14 120/4885PRKACA 322/4885ROCK1 1001/4885

“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.