SCHEMBL3554858

SCHEMBL3554858

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(CF)cccn23)n1)c1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)C(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.35
IGF1R P08069 3/20 0.34
CDK2 P24941 1/20 0.34
PLK1 P53350 3/20 0.33
ITGAL P20701 2/20 0.33
PIK3R1 P27986 2/20 0.31
AR P10275 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 0.84 IGF1R (0.43) IGF1RCDK2PLK1
SCHEMBL3560008 0.83 PLK1 (0.36) IGF1RCDK2PLK1
SCHEMBL3553431 0.82 PLK1 (0.37) IGF1RCDK2PLK1
SCHEMBL3554992 0.80 PLK1 (0.36) IGF1RCDK2PLK1
SCHEMBL3554602 0.78 PLK1 (0.42) PIK3CDIGF1RCDK2PLK1
SCHEMBL3557011 0.78 CDK2 (0.41) IGF1RCDK2PLK1
SCHEMBL3553119 0.77 PLK1 (0.38) IGF1RCDK2PLK1
SCHEMBL3551041 0.77 CDK1 (0.42) PLK1
SCHEMBL3554792 0.76 IGF1R (0.44) IGF1RCDK2PLK1
SCHEMBL3559102 0.76 PLK1 (0.37) IGF1RPLK1

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 PIK3CD 172/4885IGF1R 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.