SCHEMBL3553431

SCHEMBL3553431

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(CF)cccn23)n1)c1ccc(C2CCN(C(=O)C(F)(F)F)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.37
IGF1R P08069 5/20 0.35
CDK2 P24941 3/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
JUN P05412 2/20 0.33
MAPK8 P45983 2/20 0.33
MAPK9 P45984 2/20 0.33
MAPK10 P53779 1/20 0.33
KCNH2 Q12809 1/20 0.33
P2RX3 P56373 1/20 0.33
TYRO3 Q06418 4/20 0.32
PTK2 Q05397 1/20 0.32
SOS1 Q07889 1/20 0.32
MERTK Q12866 3/20 0.32
AXL P30530 1/20 0.32
FLT3 P36888 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
IDH1 O75874 1/20 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
SCHEMBL3559556 0.89 IGF1R (0.43) PLK1IGF1RCDK2FLT3IDH1
SCHEMBL3554992 0.86 PLK1 (0.36) PLK1IGF1RCDK2SOS1
SCHEMBL3559102 0.86 PLK1 (0.37) PLK1IGF1RMAPK9KCNH2PTK2
SCHEMBL2199046 0.82 IGF1R (0.40) PLK1IGF1RCDK2IRAK4JUN
SCHEMBL3554858 0.82 PIK3CD (0.35) PLK1IGF1RCDK2
SCHEMBL3552586 0.80 IGF1R (0.44) PLK1IGF1RCDK2FLT3IDH1
SCHEMBL3555012 0.80 IGF1R (0.44) PLK1IGF1RCDK2FLT3IDH1
SCHEMBL3551373 0.80 IGF1R (0.45) PLK1IGF1RCDK2KCNH2FLT3
SCHEMBL3555421 0.80 IGF1R (0.48) PLK1IGF1RCDK2KCNH2FLT3
SCHEMBL3554792 0.80 IGF1R (0.44) PLK1IGF1RCDK2P2RX3FLT3

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.