SCHEMBL3552038

SCHEMBL3552038

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(C(F)F)cccn23)n1)c1ccc(N2CCN(C)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.42
IGF1R P08069 2/20 0.40
CDK2 P24941 3/20 0.39
RPS6KA3 P51812 1/20 0.39
SLC2A1 P11166 1/20 0.38
IDH1 O75874 2/20 0.37
JAK2 O60674 2/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
BRD4 O60885 1/20 0.35
FLT3 P36888 6/20 0.35
CDK1 P06493 4/20 0.35
CCNB1 P14635 4/20 0.35
CDK7 P50613 3/20 0.35
CCNH P51946 3/20 0.35
MNAT1 P51948 3/20 0.35
CCNE1 P24864 2/20 0.35
CDK9 P50750 2/20 0.35
CDK6 Q00534 2/20 0.35
PIK3CD O00329 1/20 0.35

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
SCHEMBL3554891 0.91 CDK2 (0.42) PLK1IGF1RCDK2IDH1CDK1
SCHEMBL3554553 0.90 IGF1R (0.45) PLK1IGF1RCDK2RPS6KA3SLC2A1
SCHEMBL3554602 0.89 PLK1 (0.42) PLK1IGF1RCDK2RPS6KA3SLC2A1
SCHEMBL3554792 0.88 IGF1R (0.44) PLK1IGF1RCDK2IDH1FLT3
SCHEMBL3550470 0.88 IDH1 (0.41) PLK1IGF1RCDK2RPS6KA3SLC2A1
SCHEMBL3558549 0.88 PLK1 (0.41) PLK1IGF1RCDK2RPS6KA3SLC2A1
SCHEMBL3546784 0.87 PLK1 (0.45) PLK1IGF1RCDK2IDH1CDK1
SCHEMBL3548394 0.87 PLK1 (0.38) PLK1IGF1RCDK2IDH1CDK1
SCHEMBL3556604 0.87 IGF1R (0.43) PLK1IGF1RCDK2RPS6KA3SLC2A1
SCHEMBL3549480 0.87 PLK1 (0.38) PLK1IGF1RCDK2IDH1CDK9

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 1/4885IGF1R 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.