SCHEMBL3559102

SCHEMBL3559102

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(CF)cccn23)n1)c1ccc(C2CCNCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.37
IGF1R P08069 2/20 0.36
KCNH2 Q12809 1/20 0.36
MAPK13 O15264 7/20 0.34
MAPK12 P53778 7/20 0.34
MAPK11 Q15759 7/20 0.34
MAPK14 Q16539 7/20 0.34
PTK2 Q05397 4/20 0.34
JAK2 O60674 3/20 0.34
JAK3 P52333 3/20 0.34
MAPK9 P45984 4/20 0.33
RAF1 P04049 2/20 0.33
RPS6KB1 P23443 1/20 0.32
IDH1 O75874 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
BTK Q06187 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
SCHEMBL3557011 0.87 CDK2 (0.41) PLK1IGF1RKCNH2IDH1
SCHEMBL3553431 0.86 PLK1 (0.37) PLK1IGF1RKCNH2PTK2MAPK9
SCHEMBL3551147 0.84 PLK1 (0.37) PLK1MAPK14RPS6KB1
SCHEMBL2198070 0.83 PLK1 (0.38) PLK1IGF1RKCNH2MAPK9RPS6KB1
SCHEMBL3551041 0.82 CDK1 (0.42) PLK1MAPK14RPS6KB1
SCHEMBL2201057 0.82 PLK1 (0.36) PLK1IGF1RMAPK13MAPK12MAPK11
SCHEMBL3554602 0.82 PLK1 (0.42) PLK1IGF1RPTK2JAK2JAK3
SCHEMBL3552673 0.81 PLK1 (0.36) PLK1IGF1RMAPK14RPS6KB1
SCHEMBL3560008 0.81 PLK1 (0.36) PLK1IGF1RRPS6KB1
SCHEMBL3549525 0.80 PLK1 (0.39) PLK1IGF1RMAPK14RPS6KB1IDH1

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 6 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 claimed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US claimed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP claimed
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 1/4885IGF1R 101/4885KCNH2 2028/4885

“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.