SCHEMBL6426255

SCHEMBL6426255

O=C(Nc1cc2c(/C=C/c3cccs3)n[nH]c2cc1F)C1(CO)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.45
AURKA O14965 8/20 0.43
AURKB Q96GD4 6/20 0.43
CSF1R P07333 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
PDGFRA P16234 1/20 0.37
FGFR1 P11362 2/20 0.36
LMNA P02545 1/20 0.36
CHEK1 O14757 2/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNA2 P20248 1/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 1/20 0.35
CCND3 P30281 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
SCHEMBL5032415 0.91 AURKA (0.44) KDRAURKAAURKBCSF1RPDGFRB
SCHEMBL5030178 0.91 AURKA (0.44) KDRAURKAAURKBCSF1RPDGFRB
SCHEMBL6426129 0.88 KDR (0.47) KDRAURKAAURKBCSF1RPDGFRB
SCHEMBL6426080 0.86 AURKA (0.45) KDRAURKAAURKBCSF1RPDGFRB
SCHEMBL6428603 0.83 KDR (0.44) KDRAURKAAURKBCSF1RPDGFRB
SCHEMBL6427685 0.83 CHEK1 (0.47) KDRAURKAAURKBCSF1RPDGFRB
SCHEMBL13927681 0.81 GSK3B (0.47) KDRAURKAAURKBCDK2
SCHEMBL4135771 0.81 AURKA (0.66) KDRAURKAAURKBLMNA
SCHEMBL4135766 0.81 AURKA (0.66) KDRAURKAAURKBLMNA
SCHEMBL5027599 0.78 KDR (0.46) KDRAURKAAURKBLMNA

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 KDR 1044/4885AURKA 710/4885AURKB 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.