SCHEMBL6428478

SCHEMBL6428478

CC(=O)NCC1(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.42
KDR P35968 9/20 0.40
AURKB Q96GD4 3/20 0.39
FGFR1 P11362 2/20 0.39
PLK4 O00444 1/20 0.38
MAPK1 P28482 4/20 0.35
CHEK1 O14757 2/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL5030054 0.91 AURKA (0.44) AURKAKDRAURKBFGFR1PLK4
SCHEMBL6428603 0.88 KDR (0.44) AURKAKDRAURKBFGFR1PLK4
SCHEMBL6426485 0.88 AURKA (0.43) AURKAKDRAURKBFGFR1PLK4
SCHEMBL5031114 0.88 AURKA (0.44) AURKAKDRAURKBFGFR1PLK4
SCHEMBL6425975 0.87 AURKA (0.46) AURKAKDRAURKBFGFR1PLK4
SCHEMBL5034370 0.85 KDR (0.41) AURKAKDRAURKBFGFR1PLK4
SCHEMBL5034271 0.84 AURKA (0.43) AURKAKDRAURKBFGFR1PLK4
SCHEMBL6426047 0.84 KDR (0.45) AURKAKDRAURKBFGFR1PLK4
SCHEMBL4151585 0.84 KDR (0.49) AURKAKDRAURKBFGFR1PLK4
SCHEMBL4151582 0.84 KDR (0.49) AURKAKDRAURKBFGFR1PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1044/4885AURKB 579/4885

“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.