SCHEMBL6426130

SCHEMBL6426130

O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)[C@@H]1CCCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 2/20 0.43
KDR P35968 5/20 0.41
AURKA O14965 5/20 0.40
FLT3 P36888 5/20 0.40
ROCK2 O75116 3/20 0.38
AURKB Q96GD4 3/20 0.37
KIT P10721 2/20 0.36
PDGFRA P16234 2/20 0.36
SRC P12931 2/20 0.36
EGFR P00533 2/20 0.36
CHEK1 O14757 2/20 0.36
CYP1A2 P05177 1/20 0.36
KCNH2 Q12809 1/20 0.36
BMPR1B O00238 1/20 0.36
PLK4 O00444 1/20 0.36
STK25 O00506 1/20 0.36
CIT O14578 1/20 0.36
RIOK3 O14730 1/20 0.36
IKBKB O14920 1/20 0.36
GAK O14976 1/20 0.36

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
SCHEMBL6427897 1.00 ULK1 (0.43) ULK1KDRAURKAFLT3ROCK2
SCHEMBL6426446 0.97 ULK1 (0.46) ULK1KDRAURKAFLT3ROCK2
SCHEMBL6426772 0.87 KDR (0.45) ULK1KDRAURKAAURKBCDKL2
SCHEMBL13927694 0.86 GSK3B (0.47) KDRAURKAAURKBCHEK1GAK
SCHEMBL13927782 0.86 KDR (0.41) ULK1KDRAURKAFLT3ROCK2
SCHEMBL6426321 0.86 KDR (0.41) ULK1KDRAURKAFLT3ROCK2
SCHEMBL6426452 0.86 KDR (0.44) ULK1KDRAURKAFLT3ROCK2
SCHEMBL6426278 0.85 ULK1 (0.47) ULK1KDRAURKAFLT3ROCK2
SCHEMBL6426343 0.84 KDR (0.41) ULK1KDRAURKAFLT3ROCK2
SCHEMBL6426483 0.84 KDR (0.41) ULK1KDRAURKAFLT3ROCK2

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 ULK1 793/4885KDR 932/4885AURKA 726/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B ULK1 801/4885KDR 1044/4885AURKA 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.