SCHEMBL3558685

SCHEMBL3558685

Cc1cccn2c(-c3nc(N[C@@H](C)c4cccc(N)c4)ncc3C#N)cnc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.41
RPS6KB1 P23443 4/20 0.36
IGF1R P08069 3/20 0.35
CDK2 P24941 1/20 0.34
EGFR P00533 2/20 0.33
PRKDC P78527 2/20 0.33
IDH1 O75874 2/20 0.33
KRAS P01116 1/20 0.33
SOS1 Q07889 1/20 0.33
AR P10275 1/20 0.33
AURKA O14965 1/20 0.33
CDK1 P06493 1/20 0.32
KDR P35968 1/20 0.32
PFKFB3 Q16875 1/20 0.32

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
SCHEMBL3550661 0.91 PLK1 (0.41) PLK1RPS6KB1IGF1RCDK2EGFR
SCHEMBL3549490 0.90 PLK1 (0.40) PLK1RPS6KB1IGF1RCDK2EGFR
SCHEMBL3546619 0.90 PLK1 (0.39) PLK1RPS6KB1IGF1RCDK2EGFR
SCHEMBL3546850 0.89 PLK1 (0.47) PLK1RPS6KB1IGF1RCDK2EGFR
SCHEMBL3556289 0.89 PLK1 (0.39) PLK1RPS6KB1IGF1RCDK2EGFR
SCHEMBL3549525 0.88 PLK1 (0.39) PLK1RPS6KB1IGF1RCDK2EGFR
SCHEMBL3547355 0.88 PLK1 (0.51) PLK1RPS6KB1IGF1RCDK2IDH1
SCHEMBL3560355 0.88 PLK1 (0.38) PLK1RPS6KB1IGF1RCDK2IDH1
SCHEMBL3556936 0.88 PLK1 (0.38) PLK1RPS6KB1IGF1RCDK2EGFR
SCHEMBL3555308 0.86 PLK1 (0.42) PLK1RPS6KB1IGF1RCDK2EGFR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101048406-B Novel substituted imidazole derivatives BANYU PHARMA CO LTD 2010-12-22 CN disclosed
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
CN-101048406-A Novel substituted imidazole derivatives BANYU PHARMA CO LTD (JP) 2007-10-03 CN 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 1/4885RPS6KB1 912/4885IGF1R 101/4885

“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.