SCHEMBL3548573

SCHEMBL3548573

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(C(F)F)cccn23)n1)c1cccc(NCCS(C)(=O)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.37
RPS6KB1 P23443 2/20 0.34
CDK2 P24941 5/20 0.32
CCNT1 O60563 4/20 0.32
CDK1 P06493 4/20 0.32
CCNB1 P14635 4/20 0.32
CCNA2 P20248 4/20 0.32
CDK7 P50613 4/20 0.32
CDK9 P50750 4/20 0.32
CCNH P51946 4/20 0.32
FLT3 P36888 1/20 0.32
IDH1 O75874 4/20 0.32
PIK3CA P42336 2/20 0.31
IGF1R P08069 2/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
CCNA1 P78396 1/20 0.31
EGFR P00533 1/20 0.31
SOS1 Q07889 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
SCHEMBL3549400 0.90 PLK1 (0.39) PLK1RPS6KB1CDK2CCNT1CDK1
SCHEMBL3560349 0.90 PLK1 (0.40) PLK1RPS6KB1CDK2CDK1IDH1
SCHEMBL3557835 0.87 PLK1 (0.37) PLK1RPS6KB1CDK2CCNT1CDK1
SCHEMBL3556289 0.85 PLK1 (0.39) PLK1RPS6KB1CDK2IDH1IGF1R
SCHEMBL3554812 0.84 PLK1 (0.37) PLK1CDK2CDK1IGF1R
SCHEMBL3557833 0.84 PLK1 (0.37) PLK1RPS6KB1CDK2IDH1IGF1R
SCHEMBL3546784 0.84 PLK1 (0.45) PLK1RPS6KB1CDK2CDK1IDH1
SCHEMBL3551908 0.83 PLK1 (0.36) PLK1RPS6KB1CDK2CDK1FLT3
SCHEMBL3552605 0.83 PLK1 (0.36) PLK1RPS6KB1CDK2CDK1IDH1
SCHEMBL3551209 0.83 GUCY1B2 (0.38) PLK1RPS6KB1CDK2IGF1R

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 912/4885CDK2 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.