SCHEMBL3553485

SCHEMBL3553485

CC(C)N1CCC(Nc2ccc([C@H](C)Nc3ncc(C#N)c(-c4cnc5c(C(F)F)cccn45)n3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.36
IDH1 O75874 5/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
IGF1R P08069 2/20 0.34
NSD2 O96028 1/20 0.34
CDK2 P24941 5/20 0.33
JUN P05412 2/20 0.33
MAPK8 P45983 2/20 0.33
MAPK9 P45984 2/20 0.33
MAPK10 P53779 1/20 0.33
CDK1 P06493 4/20 0.31
CCNB1 P14635 4/20 0.31
CDK7 P50613 3/20 0.31
CCNH P51946 3/20 0.31
MNAT1 P51948 3/20 0.31
FLT3 P36888 2/20 0.31
CCNT1 O60563 2/20 0.31
CDK4 P11802 2/20 0.31
CCND1 P24385 2/20 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
SCHEMBL3548394 0.94 PLK1 (0.38) PLK1IDH1IGF1RCDK2JUN
SCHEMBL3543384 0.93 PLK1 (0.36) PLK1IDH1TYRO3MERTKIGF1R
SCHEMBL2198053 0.88 PLK1 (0.36) PLK1IDH1TYRO3MERTKIGF1R
SCHEMBL3554840 0.87 CDK2 (0.37) PLK1IDH1IGF1RCDK2JUN
SCHEMBL3555183 0.85 PLK1 (0.37) PLK1IGF1RCDK2CDK1
SCHEMBL3546183 0.85 KDM4E (0.37) PLK1IDH1TYRO3MERTKIGF1R
SCHEMBL3554986 0.85 PLK1 (0.38) PLK1IDH1IGF1RCDK2
SCHEMBL3550088 0.84 PLK1 (0.39) PLK1IDH1IGF1RCDK2JUN
SCHEMBL3546784 0.84 PLK1 (0.45) PLK1IDH1IGF1RCDK2CDK1
SCHEMBL3550765 0.84 PLK1 (0.36) PLK1IGF1RCDK2JUNMAPK8

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 1/4885IDH1 767/4885TYRO3 758/4885

“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.