SCHEMBL5034336

SCHEMBL5034336

O=C(NC(CO)c1ccccc1)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.43
ROCK2 O75116 6/20 0.43
MAPK1 P28482 5/20 0.41
CTSA P10619 3/20 0.40
DCAF1 Q9Y4B6 1/20 0.39
PAK4 O96013 1/20 0.38
CHEK1 O14757 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38
CDK2 P24941 1/20 0.38
CCND3 P30281 1/20 0.38
MAPK3 P27361 3/20 0.37
PDE2A O00408 1/20 0.37
PIN1 Q13526 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
SCHEMBL5029958 0.85 TRPV3 (0.45) ROCK1ROCK2MAPK1CHEK1CDK1
SCHEMBL6426329 0.85 SCN9A (0.45) ROCK1ROCK2CHEK1CDK1CDK4
SCHEMBL5034282 0.84 CAPN1 (0.42) PIN1
SCHEMBL6429407 0.83 MAPK1 (0.42) ROCK1ROCK2MAPK1DCAF1CHEK1
SCHEMBL6427150 0.81 SCN9A (0.43) MAPK1CHEK1CDK1CDK4CCNA2
SCHEMBL4148339 0.81 CHEK1 (0.47) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4148344 0.81 CHEK1 (0.47) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL5029946 0.79 ROCK1 (0.42) ROCK1ROCK2MAPK1DCAF1
SCHEMBL5030106 0.78 CHEK1 (0.40) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4146553 0.78 DYRK1A (0.43) CHEK1CDK1CDK4CCNA2CCND1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-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.