SCHEMBL5031114

SCHEMBL5031114

CN(C)CC1(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.44
KDR P35968 7/20 0.41
PLK4 O00444 3/20 0.41
AURKB Q96GD4 6/20 0.40
FGFR1 P11362 2/20 0.38
MAPK1 P28482 2/20 0.36
CHEK1 O14757 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5034286 0.90 AURKA (0.44) AURKAKDRPLK4AURKBFGFR1
SCHEMBL6426485 0.90 AURKA (0.43) AURKAKDRPLK4AURKBFGFR1
SCHEMBL6428603 0.90 KDR (0.44) AURKAKDRPLK4AURKBFGFR1
SCHEMBL5030054 0.89 AURKA (0.44) AURKAKDRPLK4AURKBFGFR1
SCHEMBL6425975 0.89 AURKA (0.46) AURKAKDRPLK4AURKBFGFR1
SCHEMBL6428478 0.88 AURKA (0.42) AURKAKDRPLK4AURKBFGFR1
SCHEMBL5034350 0.86 CHEK1 (0.43) AURKAKDRPLK4AURKBFGFR1
SCHEMBL6426047 0.86 KDR (0.45) AURKAKDRPLK4AURKBFGFR1
SCHEMBL5032442 0.85 AURKA (0.43) AURKAKDRPLK4AURKBFGFR1
SCHEMBL5031192 0.85 AURKB (0.42) AURKAKDRPLK4AURKBFGFR1

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 2 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-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 AURKA 710/4885KDR 1044/4885PLK4 618/4885

“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.