SCHEMBL3549540

SCHEMBL3549540

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(C(F)F)cccn23)n1)c1cccc(NC2CCN(CCN(C)C)CC2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.35
CDK2 P24941 4/20 0.34
JUN P05412 2/20 0.34
MAPK8 P45983 2/20 0.34
MAPK9 P45984 2/20 0.34
MAPK10 P53779 1/20 0.34
IGF1R P08069 2/20 0.32
CSNK2A2 P19784 3/20 0.32
CDK1 P06493 3/20 0.32
KDR P35968 2/20 0.32
JAK3 P52333 1/20 0.31
CDK7 P50613 2/20 0.31
CCNH P51946 2/20 0.31
MNAT1 P51948 1/20 0.31
CCNT1 O60563 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK9 P50750 1/20 0.31
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 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
SCHEMBL3551936 0.93 CDK2 (0.35) PLK1CDK2JUNMAPK8MAPK9
SCHEMBL3550649 0.92 CDK2 (0.34) PLK1CDK2JUNMAPK8MAPK9
SCHEMBL3558661 0.92 PLK1 (0.37) PLK1CDK2JUNMAPK8MAPK9
SCHEMBL3546183 0.91 KDM4E (0.37) PLK1CDK2JUNMAPK8MAPK9
SCHEMBL3554840 0.91 CDK2 (0.37) PLK1CDK2JUNMAPK8MAPK9
SCHEMBL3543384 0.89 PLK1 (0.36) PLK1CDK2JUNMAPK8MAPK9
SCHEMBL3558476 0.88 CDK2 (0.35) PLK1CDK2JUNMAPK8MAPK9
SCHEMBL3549633 0.87 PLK1 (0.38) PLK1CDK2IGF1RCSNK2A2CDK1
SCHEMBL3556610 0.87 CDK1 (0.38) PLK1CDK1KDR
SCHEMBL3550765 0.87 PLK1 (0.36) PLK1CDK2JUNMAPK8MAPK9

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 1/4885CDK2 72/4885JUN 3875/4885

“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.