SCHEMBL3550604

SCHEMBL3550604

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.35
IDH1 O75874 4/20 0.35
CDK2 P24941 2/20 0.34
CCNT1 O60563 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CCNH P51946 1/20 0.34
CCNA1 P78396 1/20 0.34
IGF1R P08069 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
RPS6KB1 P23443 1/20 0.31
HPGD P15428 1/20 0.31
AR P10275 1/20 0.31
PRKCQ Q04759 2/20 0.31
LCK P06239 1/20 0.31

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
SCHEMBL3559127 0.89 CDK2 (0.37) PLK1IDH1CDK2CCNT1CDK1
SCHEMBL3553856 0.89 IGF1R (0.37) PLK1IDH1CDK2CCNT1CDK1
SCHEMBL3555864 0.88 PLK1 (0.35) PLK1IDH1CDK2CCNT1CDK1
SCHEMBL3546784 0.88 PLK1 (0.45) PLK1IDH1CDK2CDK1IGF1R
SCHEMBL3554986 0.88 PLK1 (0.38) PLK1IDH1CDK2IGF1RALDH1A1
SCHEMBL3549480 0.88 PLK1 (0.38) PLK1IDH1CDK2CCNT1CCNA2
SCHEMBL3551131 0.83 VNN1 (0.34) PLK1CDK2CDK1CCNB1CDK7
SCHEMBL3552038 0.83 PLK1 (0.42) PLK1IDH1CDK2CCNT1CDK1
SCHEMBL3551130 0.83 PLK1 (0.35) PLK1CDK2CCNT1CDK1CCNB1
SCHEMBL3553087 0.82 PLK1 (0.36) PLK1CDK2CDK1IGF1RRPS6KB1

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 1/4885IDH1 767/4885CDK2 72/4885

“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.