SCHEMBL2900738

SCHEMBL2900738

CC(C)(C)OC(=O)N1CCN(c2ccncc2NC(=O)c2cccc(Br)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 6/20 0.56
▸ MAPK8 P45983 1/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PIM1 P11309 6/20 0.45
▸ PIM3 Q86V86 6/20 0.45
▸ PIM2 Q9P1W9 5/20 0.45
▸ GSK3A P49840 3/20 0.44
▸ GSK3B P49841 3/20 0.44
▸ CKS1B P61024 1/20 0.43
▸ SKP1 P63208 1/20 0.43
▸ SKP2 Q13309 1/20 0.43
▸ PTPN11 Q06124 1/20 0.43
▸ GBA1 P04062 1/20 0.42

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
SCHEMBL13028203 0.87 BACE1 (0.51) BACE1MEN1MAPTTSHRKMT2A
SCHEMBL13028202 0.86 IRAK4 (0.51) BACE1MEN1MAPTTSHRKMT2A
SCHEMBL13028209 0.86 BACE1 (0.50) BACE1MAPK8MEN1MAPTTSHR
SCHEMBL27786813 0.86 PIM1 (0.44) BACE1MAPTPIM1PIM3PIM2
SCHEMBL13028207 0.85 BACE1 (0.49) BACE1MAPK8MEN1MAPTTSHR
SCHEMBL2849949 0.85 PIM1 (0.55) BACE1MEN1MAPTTSHRKMT2A
SCHEMBL13028214 0.84 BACE1 (0.48) BACE1MEN1MAPTTSHRKMT2A
SCHEMBL13028145 0.84 BACE1 (0.48) BACE1MAPK8MEN1MAPTTSHR
SCHEMBL13028147 0.84 BACE1 (0.48) BACE1MEN1MAPTTSHRKMT2A
SCHEMBL13028212 0.84 BACE1 (0.48) BACE1MAPK8MEN1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178861-B1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME (US) 2014-08-20 — — EP disclosed
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-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
US-20100286135-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS Schering Corporation Patent Department, K-6-1; 1990 (US) 2010-11-11 — — US disclosed
EP-2178861-A2 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2010-04-28 — — EP disclosed
WO-2009014637-A2 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2009-01-29 — — WO 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 550/4885MAPK8 13/4885MEN1 2325/4885

“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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