SCHEMBL3553342

SCHEMBL3553342

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(OC(F)F)cccn23)n1)c1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.39
IGF1R P08069 3/20 0.34
RPS6KB1 P23443 2/20 0.33
CDK2 P24941 1/20 0.33
IDH1 O75874 3/20 0.32
AR P10275 1/20 0.32
MAPK14 Q16539 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
EGFR P00533 2/20 0.30
VNN1 O95497 2/20 0.30
PRKDC P78527 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
SCHEMBL3555864 0.88 PLK1 (0.35) PLK1IGF1RRPS6KB1CDK2IDH1
SCHEMBL3554986 0.87 PLK1 (0.38) PLK1IGF1RRPS6KB1CDK2IDH1
SCHEMBL3546619 0.86 PLK1 (0.39) PLK1IGF1RRPS6KB1CDK2IDH1
SCHEMBL3553101 0.86 PLK1 (0.36) PLK1IGF1RCDK2IDH1
SCHEMBL3550094 0.85 PLK1 (0.39) PLK1IGF1RRPS6KB1CDK2IDH1
SCHEMBL3550499 0.81 PLK1 (0.39) PLK1RPS6KB1ARMAPK14
SCHEMBL3556865 0.81 PLK1 (0.46) PLK1RPS6KB1ARMAPK14NPC1
SCHEMBL3550669 0.79 PLK1 (0.48) PLK1IGF1RRPS6KB1CDK2AR
SCHEMBL3546784 0.79 PLK1 (0.45) PLK1IGF1RRPS6KB1CDK2IDH1
SCHEMBL3549480 0.79 PLK1 (0.38) PLK1IGF1RRPS6KB1CDK2IDH1

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 1/4885IGF1R 101/4885RPS6KB1 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.