SCHEMBL3558464

SCHEMBL3558464

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(Cl)cccn23)n1)c1ccc(N2CC(N)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 12/20 0.41
PLK1 P53350 4/20 0.39
CDK2 P24941 1/20 0.36
IDH1 O75874 2/20 0.35
HRH4 Q9H3N8 1/20 0.33
RPS6KB1 P23443 1/20 0.32
KCNH2 Q12809 5/20 0.32

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
SCHEMBL3555811 0.95 IGF1R (0.42) IGF1RPLK1CDK2IDH1KCNH2
SCHEMBL3554553 0.88 IGF1R (0.45) IGF1RPLK1CDK2IDH1
SCHEMBL3543396 0.87 IGF1R (0.43) IGF1RPLK1CDK2IDH1KCNH2
SCHEMBL3550094 0.87 PLK1 (0.39) IGF1RPLK1CDK2IDH1RPS6KB1
SCHEMBL3556879 0.86 IGF1R (0.42) IGF1RPLK1CDK2HRH4RPS6KB1
SCHEMBL3551627 0.86 PLK1 (0.46) IGF1RPLK1IDH1RPS6KB1
SCHEMBL3555055 0.85 IGF1R (0.42) IGF1RPLK1CDK2IDH1KCNH2
SCHEMBL3556604 0.85 IGF1R (0.43) IGF1RPLK1CDK2IDH1
SCHEMBL3555421 0.82 IGF1R (0.48) IGF1RPLK1CDK2KCNH2
SCHEMBL3551353 0.82 IGF1R (0.41) IGF1RPLK1CDK2IDH1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101048406-B Novel substituted imidazole derivatives BANYU PHARMA CO LTD 2010-12-22 CN disclosed
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
CN-101048406-A Novel substituted imidazole derivatives BANYU PHARMA CO LTD (JP) 2007-10-03 CN 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 IGF1R 101/4885PLK1 1/4885CDK2 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.