SCHEMBL6426487

SCHEMBL6426487

O=C1CCC(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)O1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.40
AURKA O14965 6/20 0.39
AURKB Q96GD4 4/20 0.38
FGFR1 P11362 3/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
MAPT P10636 1/20 0.34
CHEK1 O14757 1/20 0.34
GSK3B P49841 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
SCHEMBL13927694 0.85 GSK3B (0.47) KDRAURKAAURKBMAPTCHEK1
SCHEMBL6426104 0.85 LMNA (0.48) KDRAURKAHDAC3HDAC1HDAC2
SCHEMBL6426772 0.83 KDR (0.45) KDRAURKAAURKBHDAC3HDAC1
SCHEMBL6427153 0.83 KDR (0.41) KDRAURKAAURKBFGFR1MAPT
SCHEMBL6426452 0.82 KDR (0.44) KDRAURKAAURKBFGFR1MAPT
SCHEMBL5032367 0.81 KDR (0.44) KDRAURKAAURKBFGFR1MAPT
SCHEMBL6426066 0.81 MAPK10 (0.42) KDRAURKAAURKBHDAC3HDAC1
SCHEMBL6426295 0.81 AURKA (0.40) KDRAURKAAURKBFGFR1MAPT
SCHEMBL6427662 0.81 AURKA (0.44) KDRAURKAAURKBFGFR1CHEK1
SCHEMBL6427897 0.80 ULK1 (0.43) KDRAURKAAURKBFGFR1CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 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 (2 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B KDR 932/4885AURKA 726/4885AURKB 608/4885
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.