SCHEMBL3554992

SCHEMBL3554992

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(CF)cccn23)n1)c1ccc(C2=CCN(C(=O)C(F)(F)F)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.36
SOS1 Q07889 3/20 0.35
IGF1R P08069 3/20 0.34
CDK2 P24941 1/20 0.33
NAMPT P43490 2/20 0.31
FGFR4 P22455 1/20 0.31
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
EED O75530 1/20 0.31
RBBP4 Q09028 1/20 0.31
SUZ12 Q15022 1/20 0.31
EZH2 Q15910 1/20 0.31
RPS6KB1 P23443 1/20 0.31
PRLHR P49683 2/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RET P07949 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
SCHEMBL3559556 0.87 IGF1R (0.43) PLK1IGF1RCDK2
SCHEMBL3553431 0.86 PLK1 (0.37) PLK1SOS1IGF1RCDK2
SCHEMBL3551147 0.83 PLK1 (0.37) PLK1SOS1RPS6KB1
SCHEMBL3554858 0.80 PIK3CD (0.35) PLK1IGF1RCDK2
SCHEMBL3551041 0.79 CDK1 (0.42) PLK1RPS6KB1
SCHEMBL3554602 0.78 PLK1 (0.42) PLK1IGF1RCDK2JAK2JAK1
SCHEMBL3555012 0.78 IGF1R (0.44) PLK1IGF1RCDK2
SCHEMBL3552586 0.78 IGF1R (0.44) PLK1IGF1RCDK2
SCHEMBL3551373 0.78 IGF1R (0.45) PLK1IGF1RCDK2
SCHEMBL3557011 0.78 CDK2 (0.41) PLK1IGF1RCDK2

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 1/4885SOS1 2535/4885IGF1R 101/4885

“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.