SCHEMBL5031150

SCHEMBL5031150

O=C(Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F)C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.42
ULK1 O75385 3/20 0.42
GSK3B P49841 4/20 0.40
AURKA O14965 3/20 0.39
AURKB Q96GD4 2/20 0.39
AAK1 Q2M2I8 2/20 0.39
BMPR1B O00238 1/20 0.39
PLK4 O00444 1/20 0.39
STK25 O00506 1/20 0.39
CIT O14578 1/20 0.39
RIOK3 O14730 1/20 0.39
CHEK1 O14757 1/20 0.39
IKBKB O14920 1/20 0.39
GAK O14976 1/20 0.39
DCLK1 O15075 1/20 0.39
CHUK O15111 1/20 0.39
MUSK O15146 1/20 0.39
EPHB6 O15197 1/20 0.39
PDPK1 O15530 1/20 0.39
MAP3K13 O43283 1/20 0.39

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
SCHEMBL13927861 0.95 KDR (0.44) KDRGSK3BAURKAAURKBAAK1
SCHEMBL6426452 0.91 KDR (0.44) KDRULK1GSK3BAURKAAURKB
SCHEMBL6426165 0.89 AURKA (0.43) KDRULK1AURKAAURKBCHEK1
SCHEMBL6426326 0.89 KDR (0.43) KDRULK1GSK3BAURKAAURKB
SCHEMBL5029994 0.88 KDR (0.56) KDRGSK3BAURKAAURKBROCK2
SCHEMBL5032310 0.87 KDR (0.40) KDRULK1GSK3BAURKAAURKB
SCHEMBL13927694 0.86 GSK3B (0.47) KDRGSK3BAURKAAURKBAAK1
SCHEMBL6426772 0.84 KDR (0.45) KDRULK1GSK3BAURKAAURKB
SCHEMBL13927777 0.84 KDR (0.45) KDRGSK3BAURKAAURKBCHEK1
SCHEMBL13927771 0.84 KDR (0.45) KDRGSK3BAURKAAURKBCHEK1

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 4 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-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 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 932/4885ULK1 793/4885GSK3B 418/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDR 1044/4885ULK1 801/4885GSK3B 452/4885

“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.