SCHEMBL3546243

SCHEMBL3546243

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.33
IGF1R P08069 2/20 0.33
PLK1 P53350 4/20 0.33
AOC3 Q16853 2/20 0.33
CARM1 Q86X55 1/20 0.32
CDK2 P24941 1/20 0.32
MAPK14 Q16539 1/20 0.32
VNN1 O95497 4/20 0.32
ADORA2A P29274 1/20 0.31
RPS6KB1 P23443 1/20 0.31
IDH1 O75874 1/20 0.30

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
SCHEMBL3557833 0.89 PLK1 (0.37) IGF1RPLK1CDK2VNN1RPS6KB1
SCHEMBL3552605 0.89 PLK1 (0.36) IGF1RPLK1CDK2MAPK14RPS6KB1
SCHEMBL3546245 0.89 IKBKB (0.35) MAPK1IGF1RPLK1CDK2MAPK14
SCHEMBL3551908 0.88 PLK1 (0.36) MAPK1IGF1RPLK1CDK2MAPK14
SCHEMBL3551209 0.84 GUCY1B2 (0.38) IGF1RPLK1CDK2VNN1RPS6KB1
SCHEMBL3557835 0.84 PLK1 (0.37) IGF1RPLK1CDK2VNN1RPS6KB1
SCHEMBL3556289 0.84 PLK1 (0.39) IGF1RPLK1CDK2MAPK14RPS6KB1
SCHEMBL3549519 0.83 PLK1 (0.34) IGF1RPLK1CDK2VNN1
SCHEMBL3555390 0.83 PLK1 (0.38) IGF1RPLK1CDK2VNN1IDH1
SCHEMBL27691888 0.82 PLK1 (0.34) PLK1MAPK14RPS6KB1

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 MAPK1 390/4885IGF1R 101/4885PLK1 1/4885

“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.