SCHEMBL3551130

SCHEMBL3551130

C[C@H](N)C(=O)Nc1ccc([C@H](C)Nc2ncc(C#N)c(-c3cnc4c(C(F)F)cccn34)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.35
IGF1R P08069 3/20 0.35
CDK2 P24941 4/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
VNN1 O95497 2/20 0.33
CDK1 P06493 5/20 0.32
FLT3 P36888 4/20 0.32
CCNB1 P14635 4/20 0.32
CDK7 P50613 4/20 0.32
CCNH P51946 4/20 0.32
MNAT1 P51948 3/20 0.32
LDHA P00338 1/20 0.32
RPS6KB1 P23443 1/20 0.31
CCNE1 P24864 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CCNT1 O60563 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK9 P50750 1/20 0.30
CCNA1 P78396 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
SCHEMBL3551131 0.89 VNN1 (0.34) PLK1IGF1RCDK2VNN1CDK1
SCHEMBL3549480 0.86 PLK1 (0.38) PLK1IGF1RCDK2VNN1RPS6KB1
SCHEMBL3554986 0.86 PLK1 (0.38) PLK1IGF1RCDK2VNN1RPS6KB1
SCHEMBL3546784 0.85 PLK1 (0.45) PLK1IGF1RCDK2CDK1RPS6KB1
SCHEMBL3557833 0.83 PLK1 (0.37) PLK1IGF1RCDK2VNN1RPS6KB1
SCHEMBL3550604 0.83 PLK1 (0.35) PLK1IGF1RCDK2CDK1CCNB1
SCHEMBL3553087 0.82 PLK1 (0.36) PLK1IGF1RCDK2CDK1RPS6KB1
SCHEMBL2199720 0.82 PLK1 (0.34) PLK1IGF1RCDK2
SCHEMBL2196577 0.82 PLK1 (0.34) PLK1IGF1RCDK2
SCHEMBL2196724 0.82 PLK1 (0.34) PLK1IGF1RCDK2

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 1/4885IGF1R 101/4885CDK2 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.