SCHEMBL3560040

SCHEMBL3560040

COc1ccc(COc2ccn3c(-c4nc(N[C@@H](C)c5ccccc5)ncc4C#N)cnc3c2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.47
CDK1 P06493 3/20 0.41
KDR P35968 3/20 0.41
IDH1 O75874 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
RPS6KB1 P23443 1/20 0.34
IGF1R P08069 1/20 0.34
CDK2 P24941 1/20 0.34
CSF1R P07333 1/20 0.34
KIT P10721 1/20 0.34
MAPK14 Q16539 3/20 0.34
MAPK13 O15264 2/20 0.33
MAPK12 P53778 2/20 0.33
MAPK11 Q15759 2/20 0.33
CNR1 P21554 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
SCHEMBL3551711 0.80 PLK1 (0.45) PLK1CDK1KDRALDH1A1RPS6KB1
SCHEMBL3549263 0.80 PLK1 (0.45) PLK1CDK1KDRALDH1A1RPS6KB1
SCHEMBL3551924 0.80 PLK1 (0.43) PLK1CDK1KDRALDH1A1RPS6KB1
SCHEMBL3557088 0.80 PLK1 (0.43) PLK1CDK1KDRALDH1A1RPS6KB1
SCHEMBL3550798 0.80 PLK1 (0.45) PLK1CDK1KDRALDH1A1RPS6KB1
SCHEMBL3550669 0.79 PLK1 (0.48) PLK1CDK1KDRALDH1A1RPS6KB1
SCHEMBL3550655 0.78 PLK1 (0.43) PLK1CDK1KDRIDH1ALDH1A1
SCHEMBL3546850 0.78 PLK1 (0.47) PLK1CDK1KDRIDH1ALDH1A1
SCHEMBL3547355 0.75 PLK1 (0.51) PLK1CDK1KDRIDH1RPS6KB1
SCHEMBL3551627 0.75 PLK1 (0.46) PLK1CDK1KDRIDH1ALDH1A1

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-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A PLK1 1/4885CDK1 2/4885KDR 2133/4885

“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.