SCHEMBL13027592

SCHEMBL13027592

O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2ccc(CN3CCOCC3)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 11/20 0.51
▸ MAPKAPK2 P49137 1/20 0.49
▸ GSK3A P49840 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ PIM1 P11309 1/20 0.47
▸ PIM3 Q86V86 1/20 0.47
▸ HDAC1 Q13547 1/20 0.45
▸ PRKCA P17252 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ PRKCQ Q04759 1/20 0.44
▸ PIM2 Q9P1W9 1/20 0.44
▸ SCN10A Q9Y5Y9 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
SCHEMBL13027606 0.86 IRAK4 (0.58) CHEK1MAPKAPK2GSK3AMAPTPIM1
SCHEMBL13027571 0.86 CHEK1 (0.60) CHEK1MAPKAPK2PIM1PIM3PRKCA
SCHEMBL13028195 0.85 GSK3A (0.44) GSK3AMAPTPIM1PIM3HDAC1
SCHEMBL13027615 0.84 PIM1 (0.57) CHEK1MAPKAPK2GSK3APIM1PIM3
SCHEMBL11923900 0.84 MAPT (0.55) CHEK1MAPKAPK2MAPTPIM1PIM3
SCHEMBL11923983 0.83 MAPKAPK2 (0.48) CHEK1MAPKAPK2PIM1PIM3
SCHEMBL13027569 0.83 CHEK1 (0.60) CHEK1MAPKAPK2PIM1PIM3PRKCA
SCHEMBL11924323 0.83 CHEK1 (0.47) CHEK1GSK3AMAPTPIM1PIM3
SCHEMBL11924267 0.82 CHEK1 (0.50) CHEK1GSK3AMAPTPIM1PIM3
SCHEMBL13027582 0.82 CHEK1 (0.56) CHEK1MAPKAPK2PIM1PIM3PRKCA

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 113/4885MAPKAPK2 31/4885GSK3A 218/4885

“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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