SCHEMBL3549665

SCHEMBL3549665

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(C(F)F)cccn23)n1)c1cccc(CN2CCN(C)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.40
KDR P35968 4/20 0.40
PLK1 P53350 5/20 0.37
FLT3 P36888 3/20 0.34
AXL P30530 2/20 0.34
MAPK14 Q16539 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 1/20 0.34
SRC P12931 2/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
CDK6 Q00534 1/20 0.33
PAK1 Q13153 1/20 0.33

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
SCHEMBL3551908 0.87 PLK1 (0.36) CDK1KDRPLK1FLT3MAPK14
SCHEMBL3552605 0.87 PLK1 (0.36) CDK1KDRPLK1MAPK14
SCHEMBL27691888 0.85 PLK1 (0.34) PLK1MAPK14
SCHEMBL3557015 0.84 CDK2 (0.45) CDK1PLK1
SCHEMBL3552038 0.84 PLK1 (0.42) CDK1PLK1FLT3CDK6
SCHEMBL3554840 0.84 CDK2 (0.37) CDK1KDRPLK1
SCHEMBL3556610 0.84 CDK1 (0.38) CDK1KDRPLK1FLT3TYRO3
SCHEMBL3556289 0.83 PLK1 (0.39) PLK1MAPK14
SCHEMBL3549633 0.83 PLK1 (0.38) CDK1KDRPLK1
SCHEMBL3546784 0.83 PLK1 (0.45) CDK1KDRPLK1MAPK14

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 CDK1 2/4885KDR 2133/4885PLK1 1/4885

“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.