SCHEMBL13028166

SCHEMBL13028166

CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccncc2NC(=O)c2cccc(-n3ncc4ccccc43)n2)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.47
▸ PDE10A Q9Y233 1/20 0.43
▸ BTK Q06187 2/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ PIM2 Q9P1W9 12/20 0.42
▸ PIM3 Q86V86 9/20 0.42
▸ PIM1 P11309 8/20 0.42
▸ KIF18A Q8NI77 1/20 0.42
▸ MAP4K4 O95819 2/20 0.40
▸ SYK P43405 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
SCHEMBL13028164 1.00 CHEK1 (0.47) CHEK1PDE10ABTKJAK3PIM2
SCHEMBL13028160 0.93 BTK (0.45) CHEK1PDE10ABTKJAK3PIM2
SCHEMBL13028165 0.93 BTK (0.45) CHEK1PDE10ABTKJAK3PIM2
SCHEMBL4438374 0.84 BTK (0.46) PDE10ABTKJAK3PIM2PIM3
SCHEMBL4438377 0.84 BTK (0.46) PDE10ABTKJAK3PIM2PIM3
SCHEMBL13027520 0.84 PIM2 (0.59) CHEK1PIM2PIM3PIM1
SCHEMBL13027503 0.84 PIM2 (0.59) CHEK1PIM2PIM3PIM1
SCHEMBL11907983 0.79 PIM2 (0.48) BTKJAK3PIM2PIM3PIM1
SCHEMBL11907982 0.79 PIM2 (0.48) BTKJAK3PIM2PIM3PIM1
SCHEMBL2693948 0.78 PIM3 (0.54) CHEK1BTKJAK3PIM2PIM3

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 113/4885PDE10A 1787/4885BTK 589/4885

“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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