SCHEMBL13027504

SCHEMBL13027504

N[C@@H]1CCCN(c2ccccc2NC(=O)c2cccc(-n3ncc4ccccc43)n2)C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIM3 Q86V86 13/20 0.50
▸ PIM1 P11309 11/20 0.50
▸ CHEK1 O14757 1/20 0.49
▸ MAP4K1 Q92918 1/20 0.49
▸ PIM2 Q9P1W9 14/20 0.48
▸ NTRK3 Q16288 1/20 0.46
▸ NTRK2 Q16620 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ PRKCQ Q04759 1/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.44

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
SCHEMBL13027496 1.00 PIM3 (0.50) PIM3PIM1CHEK1MAP4K1PIM2
SCHEMBL13027520 0.92 PIM2 (0.59) PIM3PIM1CHEK1PIM2
SCHEMBL13027503 0.92 PIM2 (0.59) PIM3PIM1CHEK1PIM2
SCHEMBL13027707 0.86 PIM2 (0.49) PIM3PIM1CHEK1MAP4K1PIM2
SCHEMBL13027718 0.86 PIM2 (0.49) PIM3PIM1CHEK1MAP4K1PIM2
SCHEMBL13156781 0.84 CHEK1 (0.70) PIM3PIM1CHEK1MAP4K1PIM2
SCHEMBL16519608 0.84 CHEK1 (0.70) PIM3PIM1CHEK1MAP4K1PIM2
SCHEMBL13156785 0.84 CHEK1 (0.70) PIM3PIM1CHEK1MAP4K1PIM2
SCHEMBL13028160 0.82 BTK (0.45) PIM3PIM1CHEK1PIM2NTRK3
SCHEMBL13028165 0.82 BTK (0.45) PIM3PIM1CHEK1PIM2NTRK3

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 PIM3 929/4885PIM1 677/4885CHEK1 113/4885

“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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