SCHEMBL13027718

SCHEMBL13027718

N[C@H]1CCCN(c2ccccc2NC(=O)c2ccnc(-n3ncc4ccccc43)n2)C1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 15/20 0.49
▸ PIM3 Q86V86 12/20 0.49
▸ PIM1 P11309 10/20 0.49
▸ CHEK1 O14757 1/20 0.47
▸ ATR Q13535 1/20 0.47
▸ MAP4K1 Q92918 1/20 0.46

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
SCHEMBL13027707 1.00 PIM2 (0.49) PIM2PIM3PIM1CHEK1ATR
SCHEMBL13027740 0.93 PIM2 (0.59) PIM2PIM3PIM1ATR
SCHEMBL13027725 0.93 PIM2 (0.59) PIM2PIM3PIM1ATR
SCHEMBL13027504 0.86 PIM3 (0.50) PIM2PIM3PIM1CHEK1MAP4K1
SCHEMBL13027496 0.86 PIM3 (0.50) PIM2PIM3PIM1CHEK1MAP4K1
SCHEMBL13156781 0.83 CHEK1 (0.70) PIM2PIM3PIM1CHEK1MAP4K1
SCHEMBL16519608 0.83 CHEK1 (0.70) PIM2PIM3PIM1CHEK1MAP4K1
SCHEMBL13156785 0.83 CHEK1 (0.70) PIM2PIM3PIM1CHEK1MAP4K1
SCHEMBL11924095 0.81 PIM2 (0.48) PIM2PIM3PIM1CHEK1ATR
SCHEMBL11924017 0.81 PIM2 (0.47) PIM2PIM3PIM1CHEK1MAP4K1

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 PIM2 890/4885PIM3 929/4885PIM1 677/4885

“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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