SCHEMBL3549480

SCHEMBL3549480

CC(Nc1ncc(C#N)c(-c2cnc3c(C(F)F)cccn23)n1)c1ccc(O)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.38
CDK2 P24941 3/20 0.34
CCNT1 O60563 2/20 0.34
CCNA2 P20248 2/20 0.34
CDK9 P50750 2/20 0.34
CCNA1 P78396 2/20 0.34
IGF1R P08069 2/20 0.34
RPS6KB1 P23443 1/20 0.33
AR P10275 1/20 0.33
AURKA O14965 1/20 0.32
VNN1 O95497 2/20 0.31
HDAC6 Q9UBN7 3/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
IDH1 O75874 2/20 0.31
KDR P35968 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
SCHEMBL3546784 0.92 PLK1 (0.45) PLK1CDK2IGF1RRPS6KB1AR
SCHEMBL3554986 0.91 PLK1 (0.38) PLK1CDK2IGF1RRPS6KB1AR
SCHEMBL3558617 0.88 PLK1 (0.39) PLK1CDK2CCNT1CCNA2CDK9
SCHEMBL3550604 0.88 PLK1 (0.35) PLK1CDK2CCNT1CCNA2CDK9
SCHEMBL3551131 0.87 VNN1 (0.34) PLK1CDK2IGF1RRPS6KB1VNN1
SCHEMBL3552038 0.87 PLK1 (0.42) PLK1CDK2CCNT1CCNA2CDK9
SCHEMBL2196724 0.86 PLK1 (0.34) PLK1CDK2IGF1RAR
SCHEMBL3551130 0.86 PLK1 (0.35) PLK1CDK2CCNT1CCNA2CDK9
SCHEMBL2199720 0.86 PLK1 (0.34) PLK1CDK2IGF1RAR
SCHEMBL2196577 0.86 PLK1 (0.34) PLK1CDK2IGF1RAR

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 1/4885CDK2 72/4885CCNT1 252/4885

“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.