SCHEMBL13028332

SCHEMBL13028332

O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2cncnc2)n1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.57
PIM3 Q86V86 1/20 0.57
CHEK1 O14757 13/20 0.54
GSK3B P49841 4/20 0.53
GSK3A P49840 3/20 0.53
ATR Q13535 1/20 0.52
PRKCA P17252 1/20 0.51
PRKCQ Q04759 1/20 0.51
PIM2 Q9P1W9 1/20 0.51
ROCK1 Q13464 1/20 0.48
CDC42BPB Q9Y5S2 1/20 0.48

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
SCHEMBL13027779 0.91 CHEK1 (0.58) PIM1PIM3CHEK1GSK3BGSK3A
SCHEMBL13027832 0.88 PIM1 (0.55) PIM1PIM3CHEK1GSK3BGSK3A
SCHEMBL13027809 0.88 PIM1 (0.52) PIM1PIM3CHEK1GSK3BGSK3A
SCHEMBL13027859 0.87 PIM1 (0.54) PIM1PIM3CHEK1GSK3BGSK3A
SCHEMBL13027763 0.87 CHEK1 (0.56) PIM1PIM3CHEK1GSK3BGSK3A
SCHEMBL13028329 0.86 CHEK1 (0.54) PIM1PIM3CHEK1GSK3BGSK3A
SCHEMBL13027822 0.86 CHEK1 (0.57) PIM1PIM3CHEK1GSK3BGSK3A
SCHEMBL13027847 0.86 CHEK1 (0.53) PIM1PIM3CHEK1GSK3BGSK3A
SCHEMBL13027930 0.86 PIM1 (0.52) PIM1PIM3CHEK1GSK3BGSK3A
SCHEMBL13027829 0.85 PIM1 (0.52) PIM1PIM3CHEK1GSK3BGSK3A

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 PIM1 677/4885PIM3 929/4885CHEK1 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.