SCHEMBL6427784

SCHEMBL6427784

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.41
KDR P35968 5/20 0.40
FGFR1 P11362 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ROCK2 O75116 4/20 0.38
AURKA O14965 1/20 0.37
ROCK1 Q13464 3/20 0.37
EGFR P00533 1/20 0.36
CASP3 P42574 1/20 0.36
ATM Q13315 1/20 0.36
SENP7 Q9BQF6 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 0.92 MAPK1 (0.43) MAPK1ROCK2AURKAROCK1
SCHEMBL13927708 0.92 MAPK1 (0.43) MAPK1ROCK2AURKAROCK1
SCHEMBL5030009 0.90 MAPK1 (0.43) MAPK1ROCK2AURKAROCK1
SCHEMBL6428698 0.90 GPR88 (0.44) MAPK1ROCK2AURKAROCK1
SCHEMBL6428627 0.89 MAPK1 (0.41) MAPK1ROCK2AURKAROCK1
SCHEMBL5031204 0.89 ROCK2 (0.41) MAPK1ROCK2ROCK1
SCHEMBL5030003 0.89 MAPK1 (0.41) MAPK1ROCK2ROCK1
SCHEMBL6426273 0.89 MAPK1 (0.41) MAPK1ROCK2ROCK1
SCHEMBL5031195 0.89 MAPK1 (0.42) MAPK1KDRROCK2ROCK1ATM
SCHEMBL5031191 0.89 MAPK1 (0.38) MAPK1ROCK2AURKAROCK1

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-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-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 7/4885KDR 932/4885FGFR1 278/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MAPK1 6/4885KDR 1044/4885FGFR1 328/4885

“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.