SCHEMBL3556936

SCHEMBL3556936

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(C(C)(C)O)cccn23)n1)c1cccc(N)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.38
MAPK9 P45984 4/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
IGF1R P08069 2/20 0.35
AR P10275 1/20 0.34
RPS6KB1 P23443 2/20 0.34
CDK2 P24941 1/20 0.34
VNN1 O95497 4/20 0.33
EGFR P00533 2/20 0.33
PRKDC P78527 2/20 0.33
AURKA O14965 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
SCHEMBL3558685 0.88 PLK1 (0.41) PLK1IGF1RARRPS6KB1CDK2
SCHEMBL3550661 0.88 PLK1 (0.41) PLK1IGF1RARRPS6KB1CDK2
SCHEMBL3549490 0.87 PLK1 (0.40) PLK1IGF1RARRPS6KB1CDK2
SCHEMBL3560355 0.85 PLK1 (0.38) PLK1IGF1RRPS6KB1CDK2AURKA
SCHEMBL3556289 0.85 PLK1 (0.39) PLK1IGF1RARRPS6KB1CDK2
SCHEMBL3549525 0.85 PLK1 (0.39) PLK1IGF1RARRPS6KB1CDK2
SCHEMBL3551217 0.83 MAPK9 (0.40) PLK1MAPK9IGF1RCDK2
SCHEMBL3555308 0.83 PLK1 (0.42) PLK1IGF1RARRPS6KB1CDK2
SCHEMBL3558657 0.81 AR (0.51) PLK1ARRPS6KB1EGFRPRKDC
SCHEMBL3554813 0.80 PLK1 (0.40) PLK1IGF1RRPS6KB1EGFRPRKDC

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 1/4885MAPK9 156/4885GABRA1 4631/4885

“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.