SCHEMBL13028079

SCHEMBL13028079

Cn1c(=O)n(-c2cccc(C(=O)Nc3cnccc3N3CCN(C(=O)OC(C)(C)C)CC3)n2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 6/20 0.47
▸ CKS1B P61024 2/20 0.41
▸ SKP1 P63208 2/20 0.41
▸ SKP2 Q13309 2/20 0.41
▸ CHEK1 O14757 4/20 0.41
▸ PIM1 P11309 3/20 0.40
▸ PIM3 Q86V86 3/20 0.40
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ PIM2 Q9P1W9 2/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GBA1 P04062 1/20 0.39

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
SCHEMBL13028114 0.89 BACE1 (0.46) BACE1CKS1BSKP1SKP2CHEK1
SCHEMBL13028115 0.88 BACE1 (0.44) BACE1CKS1BSKP1SKP2CHEK1
SCHEMBL13156381 0.88 CHEK1 (0.52) BACE1CHEK1PIM1PIM3PIM2
SCHEMBL13028118 0.88 BACE1 (0.43) BACE1CKS1BSKP1SKP2CHEK1
SCHEMBL13028111 0.87 BACE1 (0.42) BACE1CHEK1GSK3AMAPT
SCHEMBL13028097 0.86 BACE1 (0.46) BACE1CKS1BSKP1SKP2CHEK1
SCHEMBL13028108 0.86 BACE1 (0.46) BACE1CKS1BSKP1SKP2CHEK1
SCHEMBL13027394 0.85 CHEK1 (0.55) CHEK1PIM1PIM3GSK3BPIM2
SCHEMBL13156304 0.85 CHEK1 (0.49) BACE1CKS1BSKP1SKP2CHEK1
SCHEMBL13028209 0.82 BACE1 (0.50) BACE1CKS1BSKP1SKP2CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293747-B2 Heterocyclic amide compounds as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-10-23 — — US disclosed
US-8293747-B2 Heterocyclic amide compounds as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-10-23 — — US disclosed
US-20100286135-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS Schering Corporation Patent Department, K-6-1; 1990 (US) 2010-11-11 — — US disclosed
US-20100286135-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS Schering Corporation Patent Department, K-6-1; 1990 (US) 2010-11-11 — — 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 (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-20100286135-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS MTOR, CDK1, MAP3K8 BACE1 550/4885CKS1B 124/4885SKP1 84/4885

“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.

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