SCHEMBL3552605

SCHEMBL3552605

CC(Nc1ncc(C#N)c(-c2cnc3c(C(F)F)cccn23)n1)c1cccc(CN)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.36
MAPK14 Q16539 3/20 0.34
RPS6KB1 P23443 2/20 0.34
IDH1 O75874 5/20 0.32
AR P10275 1/20 0.32
CDK1 P06493 2/20 0.32
KDR P35968 2/20 0.32
IGF1R P08069 2/20 0.32
CDK2 P24941 1/20 0.31
IMPDH2 P12268 1/20 0.31

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
SCHEMBL3551908 0.92 PLK1 (0.36) PLK1MAPK14RPS6KB1IDH1AR
SCHEMBL3556289 0.90 PLK1 (0.39) PLK1MAPK14RPS6KB1IDH1AR
SCHEMBL3546243 0.89 MAPK1 (0.33) PLK1MAPK14RPS6KB1IDH1IGF1R
SCHEMBL27691888 0.88 PLK1 (0.34) PLK1MAPK14RPS6KB1
SCHEMBL3546245 0.88 IKBKB (0.35) PLK1MAPK14RPS6KB1IDH1IGF1R
SCHEMBL3546784 0.87 PLK1 (0.45) PLK1MAPK14RPS6KB1IDH1AR
SCHEMBL3549665 0.87 CDK1 (0.40) PLK1MAPK14CDK1KDR
SCHEMBL3560349 0.87 PLK1 (0.40) PLK1MAPK14RPS6KB1IDH1AR
SCHEMBL3557833 0.86 PLK1 (0.37) PLK1RPS6KB1IDH1IGF1RCDK2
SCHEMBL3549400 0.86 PLK1 (0.39) PLK1MAPK14RPS6KB1ARCDK1

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 1/4885MAPK14 680/4885RPS6KB1 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.