SCHEMBL5029958

SCHEMBL5029958

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.45
SCN9A Q15858 2/20 0.40
CHEK1 O14757 2/20 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
CNR1 P21554 2/20 0.35
CNR2 P34972 1/20 0.34
MKNK1 Q9BUB5 2/20 0.34
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
PIN1 Q13526 1/20 0.34
KDR P35968 2/20 0.33
CSF1R P07333 1/20 0.33
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33
PDGFRA P16234 1/20 0.33

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
SCHEMBL6426329 0.86 SCN9A (0.45) TRPV3SCN9ACHEK1CDK1CDK4
SCHEMBL6427150 0.85 SCN9A (0.43) SCN9ACHEK1CDK1CDK4CCNA2
SCHEMBL5034336 0.85 ROCK1 (0.43) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL14074996 0.83 TRPV3 (0.42) TRPV3CHEK1CDK1CDK4CCNA2
SCHEMBL5030119 0.82 TRPV3 (0.43) TRPV3CHEK1CDK1CDK4CCNA2
SCHEMBL13927645 0.81 CNR2 (0.42) TRPV3SCN9ACNR1CNR2MAPK1
SCHEMBL5030106 0.81 CHEK1 (0.40) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL14074901 0.80 TRPV3 (0.45) TRPV3CHEK1CDK1CDK4CCNA2
SCHEMBL4148339 0.80 CHEK1 (0.47) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4148344 0.80 CHEK1 (0.47) 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 TRPV3 2205/4885SCN9A 2678/4885CHEK1 657/4885

“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.