SCHEMBL3549633

SCHEMBL3549633

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(C(F)F)cccn23)n1)c1cccc(NC2CN(C)C2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.38
IGF1R P08069 2/20 0.34
CDK2 P24941 4/20 0.34
CDK1 P06493 6/20 0.31
CCNT1 O60563 3/20 0.31
CCNB1 P14635 3/20 0.31
CCNA2 P20248 3/20 0.31
CDK7 P50613 3/20 0.31
CDK9 P50750 3/20 0.31
CCNH P51946 3/20 0.31
RPS6KB1 P23443 2/20 0.31
JAK3 P52333 2/20 0.31
KDR P35968 3/20 0.31
AR P10275 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2A1 P68400 1/20 0.30
IDH1 O75874 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
SCHEMBL3555183 0.95 PLK1 (0.37) PLK1IGF1RCDK2CDK1RPS6KB1
SCHEMBL3554840 0.94 CDK2 (0.37) PLK1IGF1RCDK2CDK1CCNT1
SCHEMBL3561527 0.93 PLK1 (0.35) PLK1IGF1RCDK2CDK1RPS6KB1
SCHEMBL3549615 0.92 PLK1 (0.37) PLK1IGF1RCDK2CDK1CCNT1
SCHEMBL3550765 0.91 PLK1 (0.36) PLK1IGF1RCDK2CDK1CCNT1
SCHEMBL3543384 0.91 PLK1 (0.36) PLK1IGF1RCDK2CDK1CCNT1
SCHEMBL3558476 0.90 CDK2 (0.35) PLK1IGF1RCDK2CDK1CCNT1
SCHEMBL3553106 0.89 NRAS (0.38) PLK1IGF1RCDK2CCNT1CDK7
SCHEMBL3551936 0.89 CDK2 (0.35) PLK1IGF1RCDK2CDK1CCNT1
SCHEMBL3546183 0.89 KDM4E (0.37) PLK1IGF1RCDK2CDK1CCNT1

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 6 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 claimed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US claimed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP claimed
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 1/4885IGF1R 101/4885CDK2 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.