SCHEMBL6426485

SCHEMBL6426485

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.43
KDR P35968 10/20 0.42
AURKB Q96GD4 5/20 0.40
CHEK1 O14757 3/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
PLK4 O00444 2/20 0.37
FGFR1 P11362 3/20 0.36
MAPK1 P28482 1/20 0.35
CSF1R P07333 2/20 0.35
PDGFRB P09619 2/20 0.35
KIT P10721 2/20 0.35
PDGFRA P16234 2/20 0.35
BMPR1B O00238 1/20 0.35
STK25 O00506 1/20 0.35
CIT O14578 1/20 0.35
RIOK3 O14730 1/20 0.35
IKBKB O14920 1/20 0.35
GAK O14976 1/20 0.35
DCLK1 O15075 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
SCHEMBL6428603 0.92 KDR (0.44) AURKAKDRAURKBCHEK1CCNA2
SCHEMBL6426047 0.90 KDR (0.45) AURKAKDRAURKBCHEK1CCNA2
SCHEMBL5030054 0.90 AURKA (0.44) AURKAKDRAURKBCHEK1CCNA2
SCHEMBL5031114 0.90 AURKA (0.44) AURKAKDRAURKBCHEK1CCNA2
SCHEMBL6425975 0.89 AURKA (0.46) AURKAKDRAURKBCHEK1PLK4
SCHEMBL6427742 0.88 KDR (0.44) AURKAKDRAURKBCHEK1CCNA2
SCHEMBL6428478 0.88 AURKA (0.42) AURKAKDRAURKBCHEK1CCNA2
SCHEMBL5031192 0.87 AURKB (0.42) AURKAKDRAURKBCHEK1PLK4
SCHEMBL6428457 0.87 KDR (0.46) AURKAKDRAURKBCHEK1PLK4
SCHEMBL5029917 0.87 AURKB (0.42) AURKAKDRAURKBCHEK1PLK4

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.