SCHEMBL13028202

SCHEMBL13028202

CC(C)(C)OC(=O)N1CCN(c2ccncc2NC(=O)c2cccc(-c3cccnc3)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 3/20 0.51
▸ GBA1 P04062 1/20 0.51
▸ BACE1 P56817 3/20 0.50
▸ PIM3 Q86V86 6/20 0.49
▸ PIM2 Q9P1W9 6/20 0.49
▸ PIM1 P11309 5/20 0.49
▸ KIT P10721 2/20 0.49
▸ CKS1B P61024 2/20 0.46
▸ SKP1 P63208 2/20 0.46
▸ SKP2 Q13309 2/20 0.46
▸ GPR119 Q8TDV5 2/20 0.44
▸ ABL1 P00519 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL13028207 0.94 BACE1 (0.49) IRAK4GBA1BACE1PIM3PIM2
SCHEMBL13028203 0.94 BACE1 (0.51) IRAK4GBA1BACE1PIM3PIM2
SCHEMBL13028215 0.91 BACE1 (0.49) IRAK4GBA1BACE1PIM3PIM2
SCHEMBL13028214 0.91 BACE1 (0.48) IRAK4BACE1PIM3PIM2PIM1
SCHEMBL13028209 0.89 BACE1 (0.50) BACE1PIM3PIM2PIM1CKS1B
SCHEMBL13028192 0.89 BACE1 (0.47) IRAK4GBA1BACE1PIM3PIM2
SCHEMBL13028204 0.89 PIM2 (0.47) IRAK4BACE1PIM3PIM2PIM1
SCHEMBL13028201 0.89 BACE1 (0.49) GBA1BACE1PIM3PIM2PIM1
SCHEMBL13068215 0.88 GBA1 (0.54) GBA1BACE1PIM3PIM2PIM1
SCHEMBL13028189 0.87 CHEK1 (0.54) IRAK4BACE1PIM3PIM2PIM1

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 IRAK4 525/4885GBA1 1295/4885BACE1 550/4885

“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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