SCHEMBL4316652

SCHEMBL4316652

Nc1cccc2c1CN(c1cc(CN3CCN(CCO)CC3)ccc1/C=C/c1n[nH]c3ccccc13)C2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 9/20 0.38
AURKA O14965 6/20 0.38
FGFR1 P11362 3/20 0.36
FLT1 P17948 2/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
PDGFRB P09619 2/20 0.35
KDR P35968 2/20 0.35
PKM P14618 1/20 0.35
CHEK1 O14757 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
IDO2 Q6ZQW0 1/20 0.33
PLK4 O00444 2/20 0.33
MAP3K9 P80192 2/20 0.33
MAP3K11 Q16584 2/20 0.33
BMPR1B O00238 1/20 0.33
STK25 O00506 1/20 0.33
CIT O14578 1/20 0.33
RIOK3 O14730 1/20 0.33

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
SCHEMBL4316658 1.00 AURKB (0.38) AURKBAURKAFGFR1FLT1CDK5
SCHEMBL4317084 0.95 AURKB (0.37) AURKBAURKAFGFR1FLT1CDK5
SCHEMBL4317093 0.95 AURKB (0.37) AURKBAURKAFGFR1FLT1CDK5
SCHEMBL4308112 0.89 PARP1 (0.39) AURKBAURKAFGFR1FLT1CDK5
SCHEMBL4308105 0.89 PARP1 (0.39) AURKBAURKAFGFR1FLT1CDK5
SCHEMBL4319850 0.87 FGFR1 (0.39) AURKBAURKAFGFR1FLT1CDK5
SCHEMBL4319844 0.87 FGFR1 (0.39) AURKBAURKAFGFR1FLT1CDK5
SCHEMBL4317520 0.85 AURKA (0.37) AURKBAURKAFGFR1FLT1CDK5
SCHEMBL4317525 0.85 AURKA (0.37) AURKBAURKAFGFR1FLT1CDK5
SCHEMBL4310125 0.83 FGFR1 (0.38) AURKBAURKAFGFR1FLT1CDK5

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-7605272-B2 IGF-1R inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-10-20 US disclosed
US-20090054508-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1847532-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP 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-20090054508-A1 IGF-1R INHIBITOR IGF1R, IGFBP5, IGFBP1 AURKB 3438/4885AURKA 3687/4885FGFR1 18/4885

“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.