SCHEMBL3549400

SCHEMBL3549400

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.39
FLT3 P36888 2/20 0.38
IGF1R P08069 2/20 0.32
KDR P35968 6/20 0.32
CDK1 P06493 5/20 0.32
CDK2 P24941 2/20 0.32
RPS6KB1 P23443 1/20 0.32
AR P10275 1/20 0.31
CCNT1 O60563 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK9 P50750 1/20 0.31
CCNA1 P78396 1/20 0.31
MAPK1 P28482 1/20 0.30
NPC1 O15118 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
MAPK14 Q16539 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
SCHEMBL3560349 0.92 PLK1 (0.40) PLK1IGF1RKDRCDK1CDK2
SCHEMBL3548573 0.90 PLK1 (0.37) PLK1FLT3IGF1RCDK1CDK2
SCHEMBL3557835 0.90 PLK1 (0.37) PLK1IGF1RCDK1CDK2RPS6KB1
SCHEMBL3551908 0.89 PLK1 (0.36) PLK1FLT3IGF1RKDRCDK1
SCHEMBL3554812 0.87 PLK1 (0.37) PLK1IGF1RKDRCDK1CDK2
SCHEMBL3557833 0.87 PLK1 (0.37) PLK1IGF1RCDK2RPS6KB1
SCHEMBL3556289 0.86 PLK1 (0.39) PLK1IGF1RCDK2RPS6KB1AR
SCHEMBL3546784 0.86 PLK1 (0.45) PLK1IGF1RKDRCDK1CDK2
SCHEMBL3552605 0.86 PLK1 (0.36) PLK1IGF1RKDRCDK1CDK2
SCHEMBL3550649 0.85 CDK2 (0.34) PLK1IGF1RKDRCDK1CDK2

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 1/4885FLT3 23/4885IGF1R 101/4885

“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.