SCHEMBL6426329

SCHEMBL6426329

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.45
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
PIN1 Q13526 1/20 0.37
CNR2 P34972 7/20 0.36
CNR1 P21554 2/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
TRPV3 Q8NET8 1/20 0.34

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
SCHEMBL5034282 0.90 CAPN1 (0.42) SCN9APIN1
SCHEMBL6427150 0.87 SCN9A (0.43) SCN9ACHEK1CDK1CDK4CCNA2
SCHEMBL5029958 0.86 TRPV3 (0.45) SCN9ACHEK1CDK1CDK4CCNA2
SCHEMBL5034336 0.85 ROCK1 (0.43) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL5031128 0.82 SCN9A (0.48) SCN9ACNR2CNR1ROCK2ROCK1
SCHEMBL4148339 0.80 CHEK1 (0.47) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4148344 0.80 CHEK1 (0.47) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL5030106 0.79 CHEK1 (0.40) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4146553 0.79 DYRK1A (0.43) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4146547 0.79 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 3 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-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 SCN9A 2678/4885CHEK1 657/4885CDK1 180/4885

“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.