SCHEMBL3551041

SCHEMBL3551041

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 12/20 0.42
KDR P35968 12/20 0.42
PLK1 P53350 4/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RPS6KB1 P23443 1/20 0.33
FLT3 P36888 1/20 0.33
MAPK14 Q16539 1/20 0.32

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
SCHEMBL3552673 0.91 PLK1 (0.36) CDK1KDRPLK1KDM4EALDH1A1
SCHEMBL3554536 0.88 PLK1 (0.37) CDK1KDRPLK1KDM4EALDH1A1
SCHEMBL3554602 0.83 PLK1 (0.42) CDK1PLK1FLT3
SCHEMBL3549525 0.83 PLK1 (0.39) PLK1RPS6KB1MAPK14
SCHEMBL3557011 0.83 CDK2 (0.41) CDK1PLK1FLT3
SCHEMBL3558801 0.82 PLK1 (0.38) CDK1KDRPLK1KDM4EALDH1A1
SCHEMBL3559102 0.82 PLK1 (0.37) PLK1RPS6KB1MAPK14
SCHEMBL3551147 0.81 PLK1 (0.37) PLK1RPS6KB1MAPK14
SCHEMBL3559556 0.80 IGF1R (0.43) CDK1PLK1FLT3
SCHEMBL3553119 0.80 PLK1 (0.38) PLK1

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 CDK1 2/4885KDR 2133/4885PLK1 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.