SCHEMBL6426231

SCHEMBL6426231

COc1ccccc1/C=C/c1n[nH]c2ccc(C(=O)N[C@H](CO)c3ccccc3)c(OC)c12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.42
ROCK1 Q13464 9/20 0.42
ADORA2A P29274 1/20 0.41
MAPK1 P28482 5/20 0.41
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
USP2 O75604 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL5034356 0.91 ROCK2 (0.42) ROCK2ROCK1MAPK1
SCHEMBL13927708 0.89 MAPK1 (0.43) ROCK2ROCK1ADORA2AMAPK1
SCHEMBL5034325 0.89 MAPK1 (0.43) ROCK2ROCK1ADORA2AMAPK1
SCHEMBL6426273 0.87 MAPK1 (0.41) ROCK2ROCK1ADORA2AMAPK1
SCHEMBL5030003 0.87 MAPK1 (0.41) ROCK2ROCK1ADORA2AMAPK1
SCHEMBL6428698 0.86 GPR88 (0.44) ROCK2ROCK1MAPK1ALDH1A1
SCHEMBL5030009 0.86 MAPK1 (0.43) ROCK2ROCK1ADORA2AMAPK1
SCHEMBL5031204 0.85 ROCK2 (0.41) ROCK2ROCK1ADORA2AMAPK1
SCHEMBL6428627 0.85 MAPK1 (0.41) ROCK2ROCK1ADORA2AMAPK1
SCHEMBL5029985 0.85 PAK4 (0.45) ROCK2ROCK1ADORA2AMAPK1

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 ROCK2 503/4885ROCK1 768/4885ADORA2A 1738/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B ROCK2 560/4885ROCK1 826/4885ADORA2A 2046/4885

“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.