SCHEMBL6426982

SCHEMBL6426982

CC(=O)N1CCC(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.58
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.41
AURKA O14965 3/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
GSK3B P49841 2/20 0.40
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
AURKB Q96GD4 2/20 0.38
FGFR1 P11362 1/20 0.38
GSK3A P49840 1/20 0.38
KCNH2 Q12809 1/20 0.37
MAPK11 Q15759 1/20 0.37

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
SCHEMBL5029994 0.92 KDR (0.56) KDRHDAC3HDAC1HDAC2MAPT
SCHEMBL13927694 0.91 GSK3B (0.47) KDRMAPTAURKAKMT2AGSK3B
SCHEMBL6426772 0.89 KDR (0.45) KDRHDAC3HDAC1HDAC2MAPT
SCHEMBL13927772 0.88 KDR (0.54) KDRHDAC3HDAC1HDAC2MAPT
SCHEMBL13927778 0.88 KDR (0.52) KDRHDAC3HDAC1HDAC2MAPT
SCHEMBL6426452 0.88 KDR (0.44) KDRMAPTAURKAROCK2ROCK1
SCHEMBL5032367 0.85 KDR (0.44) KDRMAPTAURKAROCK2ROCK1
SCHEMBL6425784 0.83 KDR (0.43) KDRMAPTAURKAROCK2ROCK1
SCHEMBL6426066 0.83 MAPK10 (0.42) KDRHDAC3HDAC1HDAC2MAPT
SCHEMBL6427153 0.83 KDR (0.41) KDRMAPTAURKAROCK2ROCK1

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 932/4885HDAC3 138/4885HDAC1 175/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDR 1044/4885HDAC3 148/4885HDAC1 155/4885

“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.