SCHEMBL6426772

SCHEMBL6426772

O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.45
GSK3B P49841 2/20 0.43
AURKA O14965 4/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
GSK3A P49840 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
AURKB Q96GD4 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK14 Q16539 1/20 0.39
CDKL2 Q92772 1/20 0.38
ULK1 O75385 1/20 0.38

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
SCHEMBL13927694 0.96 GSK3B (0.47) KDRGSK3BAURKAKMT2AGSK3A
SCHEMBL6426452 0.93 KDR (0.44) KDRGSK3BAURKAGSK3AMAPT
SCHEMBL6426278 0.91 ULK1 (0.47) KDRGSK3BAURKAAURKBCDKL2
SCHEMBL5032367 0.90 KDR (0.44) KDRGSK3BAURKAGSK3AMAPT
SCHEMBL6426982 0.89 KDR (0.58) KDRGSK3BAURKAKMT2AGSK3A
SCHEMBL6427646 0.89 KDR (0.41) KDRGSK3BAURKAAURKBCDKL2
SCHEMBL6426066 0.88 MAPK10 (0.42) KDRGSK3BAURKAKMT2AMAPT
SCHEMBL6427153 0.88 KDR (0.41) KDRGSK3BAURKAGSK3AMAPT
SCHEMBL13927861 0.87 KDR (0.44) KDRGSK3BAURKAMEN1KMT2A
SCHEMBL6427897 0.87 ULK1 (0.43) KDRAURKAAURKBCDKL2ULK1

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 1044/4885GSK3B 452/4885AURKA 710/4885

“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.