SCHEMBL3547355

SCHEMBL3547355

COc1cccc([C@H](C)Nc2ncc(C#N)c(-c3cnc4c(C)cccn34)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.51
IDH1 O75874 4/20 0.43
CDK1 P06493 2/20 0.43
KDR P35968 2/20 0.43
RPS6KB1 P23443 1/20 0.41
PFKFB3 Q16875 3/20 0.39
MAPK1 P28482 2/20 0.38
IGF1R P08069 3/20 0.37
VNN1 O95497 1/20 0.37
CDK2 P24941 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
SCHEMBL3558685 0.88 PLK1 (0.41) PLK1IDH1CDK1KDRRPS6KB1
SCHEMBL3546850 0.88 PLK1 (0.47) PLK1IDH1CDK1KDRRPS6KB1
SCHEMBL3558617 0.83 PLK1 (0.39) PLK1IDH1CDK1KDRRPS6KB1
SCHEMBL3546619 0.83 PLK1 (0.39) PLK1IDH1CDK1KDRRPS6KB1
SCHEMBL4257883 0.83 ALDH1A1 (0.43) PLK1IDH1CDK1KDRRPS6KB1
SCHEMBL3550499 0.83 PLK1 (0.39) PLK1RPS6KB1MAPK1
SCHEMBL3552091 0.83 PLK1 (0.38) PLK1IDH1CDK1KDRRPS6KB1
SCHEMBL3550013 0.83 CDK1 (0.44) CDK1KDRRPS6KB1MAPK1VNN1
SCHEMBL2199169 0.83 PLK1 (0.43) PLK1IDH1CDK1KDRRPS6KB1
SCHEMBL3550669 0.82 PLK1 (0.48) PLK1CDK1KDRRPS6KB1IGF1R

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 1/4885IDH1 767/4885CDK1 2/4885

“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.