SCHEMBL3554602

SCHEMBL3554602

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(CF)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
JAK2 O60674 4/20 0.40
JAK3 P52333 3/20 0.40
PTK2 Q05397 2/20 0.40
IGF1R P08069 3/20 0.39
CDK2 P24941 3/20 0.39
RPS6KA3 P51812 1/20 0.38
IDH1 O75874 2/20 0.38
SLC2A1 P11166 1/20 0.37
FLT3 P36888 6/20 0.36
BRD4 O60885 1/20 0.34
CDK1 P06493 3/20 0.34
CCNB1 P14635 3/20 0.34
CDK7 P50613 3/20 0.34
CCNH P51946 3/20 0.34
MNAT1 P51948 3/20 0.34
CCNE1 P24864 2/20 0.34
PIK3CD O00329 1/20 0.34
PRKAB2 O43741 1/20 0.34
NUAK1 O60285 1/20 0.34

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
SCHEMBL3550470 0.93 IDH1 (0.41) PLK1JAK2JAK3PTK2IGF1R
SCHEMBL3557011 0.92 CDK2 (0.41) PLK1IGF1RCDK2IDH1FLT3
SCHEMBL3553119 0.90 PLK1 (0.38) PLK1JAK2JAK3PTK2IGF1R
SCHEMBL3552038 0.89 PLK1 (0.42) PLK1JAK2JAK3PTK2IGF1R
SCHEMBL3559556 0.89 IGF1R (0.43) PLK1IGF1RCDK2IDH1FLT3
SCHEMBL3554553 0.88 IGF1R (0.45) PLK1JAK2JAK3PTK2IGF1R
SCHEMBL3558549 0.86 PLK1 (0.41) PLK1JAK2JAK3PTK2IGF1R
SCHEMBL3556604 0.85 IGF1R (0.43) PLK1JAK2JAK3PTK2IGF1R
SCHEMBL3551041 0.83 CDK1 (0.42) PLK1FLT3CDK1
SCHEMBL3552673 0.82 PLK1 (0.36) PLK1IGF1RCDK1

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 1/4885JAK2 594/4885JAK3 291/4885

“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.