SCHEMBL13028197

SCHEMBL13028197

CC(C)(C)OC(=O)N1CCN(c2ccncc2NC(=O)c2cccc(-c3cc4ccccc4s3)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.54
▸ BACE1 P56817 4/20 0.51
▸ PIM2 Q9P1W9 12/20 0.47
▸ ACKR3 P25106 1/20 0.44
▸ PIM1 P11309 3/20 0.44
▸ PIM3 Q86V86 3/20 0.44
▸ CYP2C9 P11712 1/20 0.40
▸ NAMPT P43490 1/20 0.40

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
SCHEMBL13067930 0.88 CHEK1 (0.54) CHEK1BACE1PIM2ACKR3
SCHEMBL13028201 0.88 BACE1 (0.49) CHEK1BACE1PIM2PIM1PIM3
SCHEMBL13028212 0.88 BACE1 (0.48) CHEK1BACE1PIM2PIM1PIM3
SCHEMBL13015419 0.87 CHEK1 (0.54) CHEK1BACE1PIM2ACKR3PIM1
SCHEMBL13028211 0.85 BACE1 (0.47) CHEK1BACE1PIM2PIM1PIM3
SCHEMBL13028217 0.84 CHEK1 (0.74) CHEK1PIM2PIM1PIM3
SCHEMBL13028203 0.84 BACE1 (0.51) CHEK1BACE1PIM2PIM1PIM3
SCHEMBL13028202 0.83 IRAK4 (0.51) BACE1PIM2PIM1PIM3
SCHEMBL13028209 0.83 BACE1 (0.50) CHEK1BACE1PIM2PIM1PIM3
SCHEMBL13028198 0.83 BACE1 (0.51) CHEK1BACE1PIM2PIM1PIM3

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 CHEK1 113/4885BACE1 550/4885PIM2 890/4885

“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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