SCHEMBL5030009

SCHEMBL5030009

COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2[nH]nc(/C=C/c3ccc(C)cc3)c12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.43
ROCK2 O75116 4/20 0.39
ROCK1 Q13464 4/20 0.39
KCNA5 P22460 3/20 0.38
IDH1 O75874 2/20 0.36
AURKA O14965 2/20 0.36
AURKB Q96GD4 1/20 0.36
DCAF1 Q9Y4B6 1/20 0.36
ADORA2A P29274 1/20 0.36

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 0.95 MAPK1 (0.43) MAPK1ROCK2ROCK1IDH1AURKA
SCHEMBL13927708 0.95 MAPK1 (0.43) MAPK1ROCK2ROCK1IDH1AURKA
SCHEMBL6428698 0.93 GPR88 (0.44) MAPK1ROCK2ROCK1KCNA5AURKA
SCHEMBL6428627 0.92 MAPK1 (0.41) MAPK1ROCK2ROCK1IDH1AURKA
SCHEMBL6426273 0.92 MAPK1 (0.41) MAPK1ROCK2ROCK1DCAF1ADORA2A
SCHEMBL5031204 0.92 ROCK2 (0.41) MAPK1ROCK2ROCK1IDH1DCAF1
SCHEMBL5031195 0.92 MAPK1 (0.42) MAPK1ROCK2ROCK1DCAF1
SCHEMBL5030003 0.92 MAPK1 (0.41) MAPK1ROCK2ROCK1DCAF1ADORA2A
SCHEMBL5027559 0.91 MAPK1 (0.43) MAPK1ROCK2ROCK1IDH1AURKA
SCHEMBL5027562 0.91 ROCK2 (0.40) MAPK1ROCK2ROCK1IDH1AURKA

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 MAPK1 7/4885ROCK2 503/4885ROCK1 768/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MAPK1 6/4885ROCK2 560/4885ROCK1 826/4885

“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.