SCHEMBL3551209

SCHEMBL3551209

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 1/20 0.38
GUCY1A2 P33402 1/20 0.38
GUCY1A1 Q02108 1/20 0.38
GUCY1B1 Q02153 1/20 0.38
PLK1 P53350 4/20 0.37
LDHA P00338 7/20 0.37
LDHB P07195 4/20 0.37
VNN1 O95497 4/20 0.37
IGF1R P08069 2/20 0.35
CDK2 P24941 1/20 0.35
AR P10275 1/20 0.33
RPS6KB1 P23443 1/20 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
SCHEMBL3555390 0.92 PLK1 (0.38) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PLK1
SCHEMBL3546784 0.89 PLK1 (0.45) PLK1IGF1RCDK2ARRPS6KB1
SCHEMBL3557015 0.88 CDK2 (0.45) PLK1IGF1RCDK2
SCHEMBL3556289 0.87 PLK1 (0.39) PLK1IGF1RCDK2ARRPS6KB1
SCHEMBL3551908 0.87 PLK1 (0.36) PLK1VNN1IGF1RCDK2AR
SCHEMBL3557833 0.86 PLK1 (0.37) PLK1VNN1IGF1RCDK2RPS6KB1
SCHEMBL3557835 0.86 PLK1 (0.37) PLK1VNN1IGF1RCDK2RPS6KB1
SCHEMBL3549400 0.85 PLK1 (0.39) PLK1IGF1RCDK2ARRPS6KB1
SCHEMBL3552605 0.85 PLK1 (0.36) PLK1IGF1RCDK2ARRPS6KB1
SCHEMBL3560349 0.85 PLK1 (0.40) PLK1IGF1RCDK2ARRPS6KB1

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 GUCY1B2 4187/4885GUCY1A2 4359/4885GUCY1A1 4198/4885

“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.