SCHEMBL3546183

SCHEMBL3546183

CCN1CCC(Nc2cccc([C@H](C)Nc3ncc(C#N)c(-c4cnc5c(C(F)F)cccn45)n3)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
PLK1 P53350 4/20 0.36
CDK2 P24941 4/20 0.35
MAPK8 P45983 3/20 0.35
MAPK9 P45984 3/20 0.35
JUN P05412 2/20 0.35
MAPK10 P53779 1/20 0.35
TYRO3 Q06418 2/20 0.35
MERTK Q12866 1/20 0.35
IGF1R P08069 3/20 0.34
IDH1 O75874 1/20 0.33
KDR P35968 2/20 0.33
CDK1 P06493 2/20 0.33
SOS1 Q07889 1/20 0.32
PDPK1 O15530 2/20 0.32
AURKA O14965 2/20 0.31
CDK7 P50613 2/20 0.31
DAPK3 O43293 1/20 0.31
JAK2 O60674 1/20 0.31
PRKD3 O94806 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
SCHEMBL3551936 0.93 CDK2 (0.35) PLK1CDK2MAPK8MAPK9JUN
SCHEMBL3550649 0.93 CDK2 (0.34) PLK1CDK2MAPK8MAPK9JUN
SCHEMBL3543384 0.92 PLK1 (0.36) PLK1CDK2MAPK8MAPK9JUN
SCHEMBL3554840 0.92 CDK2 (0.37) PLK1CDK2MAPK8MAPK9JUN
SCHEMBL3550212 0.92 CCNK (0.39) PLK1CDK2MAPK8MAPK9JUN
SCHEMBL3549540 0.91 PLK1 (0.35) PLK1CDK2MAPK8MAPK9JUN
SCHEMBL3556610 0.90 CDK1 (0.38) KDM4EPLK1TYRO3MERTKKDR
SCHEMBL3550765 0.90 PLK1 (0.36) PLK1CDK2MAPK8MAPK9JUN
SCHEMBL3558476 0.89 CDK2 (0.35) PLK1CDK2MAPK8MAPK9JUN
SCHEMBL3549633 0.89 PLK1 (0.38) PLK1CDK2IGF1RIDH1KDR

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 KDM4E 489/4885PLK1 1/4885CDK2 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.