SCHEMBL5030171

SCHEMBL5030171

O=C(N[C@H](CO)c1ccccc1)c1ccc2[nH]nc(/C=C/c3ccc(F)cc3)c2c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCAF1 Q9Y4B6 3/20 0.40
MAPK1 P28482 10/20 0.39
PAK4 O96013 3/20 0.38
TACR3 P29371 1/20 0.38
MAPK3 P27361 1/20 0.37
ROCK1 Q13464 3/20 0.36
ROCK2 O75116 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK13 O15264 1/20 0.36
RPS6KA5 O75582 1/20 0.36
MAP4K4 O95819 1/20 0.36
PRKCG P05129 1/20 0.36
CDK1 P06493 1/20 0.36
PRKACA P17612 1/20 0.36
RPS6KB1 P23443 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
SCHEMBL5030003 0.89 MAPK1 (0.41) DCAF1MAPK1ROCK1ROCK2
SCHEMBL6426273 0.89 MAPK1 (0.41) DCAF1MAPK1ROCK1ROCK2
SCHEMBL5029960 0.87 MAPK1 (0.43) DCAF1MAPK1
SCHEMBL6428642 0.84 DCAF1 (0.40) DCAF1MAPK1PAK4
SCHEMBL5029993 0.83 MEN1 (0.36) MAPK1PAK4ALDH1A1LMNAHPGD
SCHEMBL5034325 0.81 MAPK1 (0.43) MAPK1TACR3ROCK1ROCK2
SCHEMBL13927708 0.81 MAPK1 (0.43) MAPK1TACR3ROCK1ROCK2
SCHEMBL5030009 0.80 MAPK1 (0.43) DCAF1MAPK1ROCK1ROCK2
SCHEMBL6428698 0.80 GPR88 (0.44) DCAF1MAPK1PAK4ROCK1ROCK2
SCHEMBL5032386 0.80 LMNA (0.35) MAPK1ALDH1A1LMNAHPGDCDK2

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 DCAF1 2900/4885MAPK1 7/4885PAK4 1571/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B DCAF1 2774/4885MAPK1 6/4885PAK4 1561/4885

“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.