SCHEMBL13028279

SCHEMBL13028279

COc1ccc(-c2nccc(C(=O)Nc3cnccc3N3CCN(B(C)O)CC3)n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 6/20 0.48
PIM3 Q86V86 4/20 0.48
GSK3B P49841 10/20 0.46
GSK3A P49840 3/20 0.46
PRKCA P17252 1/20 0.42
PRKCQ Q04759 1/20 0.42
PIM1 P11309 2/20 0.40
MAPT P10636 6/20 0.40
ATR Q13535 2/20 0.39
CHEK1 O14757 2/20 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
SCHEMBL13028266 0.90 GSK3B (0.50) PIM2PIM3GSK3BGSK3APRKCA
SCHEMBL13027817 0.87 CHEK1 (0.51) PIM2PIM3GSK3BGSK3APIM1
SCHEMBL13028274 0.87 GSK3B (0.49) PIM2PIM3GSK3BGSK3APRKCA
SCHEMBL13961713 0.87 PIM2 (0.48) PIM2PIM3GSK3BGSK3APRKCA
SCHEMBL13028290 0.86 GSK3B (0.50) PIM2PIM3GSK3BGSK3APIM1
SCHEMBL13068385 0.85 PIM2 (0.49) PIM2PIM3GSK3BGSK3APRKCA
SCHEMBL13028283 0.85 GSK3B (0.47) PIM2PIM3GSK3BGSK3APIM1
SCHEMBL13028306 0.85 GSK3B (0.47) PIM2PIM3GSK3BGSK3APRKCA
SCHEMBL13028286 0.84 CHEK1 (0.55) PIM2PIM3GSK3BGSK3APRKCA
SCHEMBL13028291 0.84 GSK3B (0.47) PIM2PIM3GSK3BGSK3APIM1

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 2 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-20100286135-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS Schering Corporation Patent Department, K-6-1; 1990 (US) 2010-11-11 US 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 929/4885GSK3B 192/4885

“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.