SCHEMBL3551147

SCHEMBL3551147

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(CF)cccn23)n1)c1ccc(C2=CCNCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.37
RPS6KB1 P23443 1/20 0.34
SOS1 Q07889 4/20 0.34
MET P08581 1/20 0.32
MAPK14 Q16539 2/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CDK4 P11802 1/20 0.30
CDK6 Q00534 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
SCHEMBL3557011 0.84 CDK2 (0.41) PLK1CDK4
SCHEMBL3559102 0.84 PLK1 (0.37) PLK1RPS6KB1MAPK14
SCHEMBL3554992 0.83 PLK1 (0.36) PLK1RPS6KB1SOS1
SCHEMBL3551041 0.81 CDK1 (0.42) PLK1RPS6KB1MAPK14
SCHEMBL3554602 0.81 PLK1 (0.42) PLK1CDK4CDK6
SCHEMBL3552673 0.80 PLK1 (0.36) PLK1RPS6KB1MAPK14
SCHEMBL3549525 0.79 PLK1 (0.39) PLK1RPS6KB1MAPK14
SCHEMBL3560008 0.78 PLK1 (0.36) PLK1RPS6KB1CDK4CDK6
SCHEMBL3553119 0.77 PLK1 (0.38) PLK1
SCHEMBL3554536 0.76 PLK1 (0.37) PLK1RPS6KB1MAPK14

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 PLK1 1/4885RPS6KB1 912/4885SOS1 2535/4885

“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.