SCHEMBL3554813

SCHEMBL3554813

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(Cl)cc(Cl)cn23)n1)c1cccc(N)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.40
IDH1 O75874 9/20 0.38
RPS6KB1 P23443 2/20 0.36
IGF1R P08069 1/20 0.33
IDH2 P48735 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAP3K8 P41279 2/20 0.33
EGFR P00533 2/20 0.33
PRKDC P78527 2/20 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
SCHEMBL3549490 0.90 PLK1 (0.40) PLK1IDH1RPS6KB1IGF1RMAP3K8
SCHEMBL3555308 0.87 PLK1 (0.42) PLK1IDH1RPS6KB1IGF1RIDH2
SCHEMBL3554700 0.85 PLK1 (0.40) PLK1IDH1RPS6KB1IGF1REGFR
SCHEMBL3550661 0.83 PLK1 (0.41) PLK1IDH1RPS6KB1IGF1REGFR
SCHEMBL3558685 0.83 PLK1 (0.41) PLK1IDH1RPS6KB1IGF1REGFR
SCHEMBL3543398 0.82 CCNT1 (0.37) PLK1IGF1REGFR
SCHEMBL3556289 0.81 PLK1 (0.39) PLK1IDH1RPS6KB1IGF1REGFR
SCHEMBL3549525 0.81 PLK1 (0.39) PLK1IDH1RPS6KB1IGF1REGFR
SCHEMBL3556936 0.80 PLK1 (0.38) PLK1RPS6KB1IGF1REGFRPRKDC
SCHEMBL3560355 0.80 PLK1 (0.38) PLK1IDH1RPS6KB1IGF1R

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 1/4885IDH1 767/4885RPS6KB1 912/4885

“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.