SCHEMBL5029946

SCHEMBL5029946

COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2[nH]nc(/C=C/c3cccc(F)c3)c12

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 10/20 0.42
ROCK2 O75116 9/20 0.42
MAPK1 P28482 9/20 0.41
DCAF1 Q9Y4B6 1/20 0.40

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
SCHEMBL5034325 0.92 MAPK1 (0.43) ROCK1ROCK2MAPK1
SCHEMBL13927708 0.92 MAPK1 (0.43) ROCK1ROCK2MAPK1
SCHEMBL6428432 0.91 ROCK2 (0.47) ROCK1ROCK2MAPK1
SCHEMBL6426273 0.91 MAPK1 (0.41) ROCK1ROCK2MAPK1DCAF1
SCHEMBL5030003 0.91 MAPK1 (0.41) ROCK1ROCK2MAPK1DCAF1
SCHEMBL6426075 0.90 MAPK1 (0.41) ROCK1ROCK2MAPK1
SCHEMBL6427778 0.89 MAPK1 (0.40) ROCK1ROCK2MAPK1
SCHEMBL6425756 0.89 MAPK1 (0.43) ROCK1ROCK2MAPK1
SCHEMBL6428505 0.89 ROCK2 (0.40) ROCK1ROCK2MAPK1
SCHEMBL5032381 0.87 MAPK1 (0.41) ROCK1ROCK2MAPK1

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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US 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 (2 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B ROCK1 768/4885ROCK2 503/4885MAPK1 7/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B ROCK1 826/4885ROCK2 560/4885MAPK1 6/4885

“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.