SCHEMBL3038656

SCHEMBL3038656

CCN(C)C(=O)C(=O)Nc1ccc(Sc2cc3nc(C)cn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.42
GSK3B P49841 2/20 0.42
SRC P12931 1/20 0.42
AURKA O14965 2/20 0.40
IGF1R P08069 16/20 0.39
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37

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
SCHEMBL3044203 0.83 IGF1R (0.43) AURKBGSK3BSRCAURKAIGF1R
SCHEMBL3040342 0.83 CCNE1 (0.43) AURKBGSK3BSRCAURKAIGF1R
SCHEMBL3044950 0.81 AURKB (0.42) AURKBGSK3BSRCAURKAIGF1R
SCHEMBL3027778 0.81 AURKB (0.42) AURKBGSK3BSRCAURKAIGF1R
SCHEMBL3037063 0.80 AURKB (0.51) AURKBGSK3BSRCAURKAIGF1R
SCHEMBL3035031 0.79 SRC (0.51) AURKBGSK3BSRCAURKAIGF1R
SCHEMBL13221256 0.79 AURKB (0.53) AURKBGSK3BSRCAURKAIGF1R
SCHEMBL13221255 0.78 AURKB (0.52) AURKBGSK3BSRCAURKAIGF1R
SCHEMBL13221226 0.77 SRC (0.43) AURKBGSK3BSRCAURKAIGF1R
SCHEMBL13221238 0.77 AURKB (0.51) AURKBGSK3BSRCAURKAIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US claimed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US claimed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-20060084650-A1 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-20 US 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 (2 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-20060084650-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AURKB 122/4885GSK3B 200/4885SRC 63/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 AURKB 122/4885GSK3B 200/4885SRC 63/4885

“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.