SCHEMBL13028190

SCHEMBL13028190

CN1CCOc2cc(-c3cccc(C(=O)Nc4cnccc4N4CCN(C(=O)OC(C)(C)C)CC4)n3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 6/20 0.46
▸ PDCD1 Q15116 2/20 0.42
▸ CD274 Q9NZQ7 2/20 0.42
▸ SCN9A Q15858 1/20 0.42
▸ PIM1 P11309 4/20 0.42
▸ PIM3 Q86V86 4/20 0.42
▸ PIM2 Q9P1W9 4/20 0.42
▸ USP30 Q70CQ3 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ DYRK1A Q13627 1/20 0.38
▸ SCD O00767 1/20 0.38
▸ SCD5 Q86SK9 1/20 0.38

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
SCHEMBL13028199 0.88 CHEK1 (0.55) BACE1PIM1PIM3PIM2CYP11B2
SCHEMBL13027589 0.86 CHEK1 (0.54) PDCD1CD274PIM1PIM3PIM2
SCHEMBL13028203 0.84 BACE1 (0.51) BACE1PIM1PIM3PIM2CHEK1
SCHEMBL13028202 0.84 IRAK4 (0.51) BACE1PIM1PIM3PIM2IRAK4
SCHEMBL13028215 0.83 BACE1 (0.49) BACE1PIM1PIM3PIM2IRAK4
SCHEMBL13028214 0.83 BACE1 (0.48) BACE1PIM1PIM3PIM2USP30
SCHEMBL13028189 0.83 CHEK1 (0.54) BACE1PIM1PIM3PIM2CHEK1
SCHEMBL13028207 0.83 BACE1 (0.49) BACE1PIM1PIM3PIM2IRAK4
SCHEMBL13028191 0.82 CHEK1 (0.55) BACE1PIM1PIM3PIM2CHEK1
SCHEMBL13028194 0.81 IRAK4 (0.55) BACE1PIM1PIM3PIM2IRAK4

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
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
WO-2009014637-A2 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2009-01-29 — — WO 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 550/4885PDCD1 828/4885CD274 2083/4885

“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.

Send feedback