SCHEMBL13028290

SCHEMBL13028290

CB(O)N1CCN(c2ccncc2NC(=O)c2ccnc(-c3cncnc3)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.50
GSK3A P49840 3/20 0.50
PIM1 P11309 4/20 0.44
PIM3 Q86V86 3/20 0.44
MAPT P10636 6/20 0.43
ATR Q13535 6/20 0.42
PIM2 Q9P1W9 1/20 0.41
GPR6 P46095 1/20 0.40

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
SCHEMBL13028274 0.92 GSK3B (0.49) GSK3BGSK3APIM1PIM3MAPT
SCHEMBL13028267 0.88 GSK3B (0.48) GSK3BGSK3APIM1PIM3MAPT
SCHEMBL13028283 0.88 GSK3B (0.47) GSK3BGSK3APIM1PIM3MAPT
SCHEMBL13028266 0.88 GSK3B (0.50) GSK3BGSK3APIM1PIM3MAPT
SCHEMBL13028261 0.88 GSK3B (0.47) GSK3BGSK3APIM1PIM3MAPT
SCHEMBL13028306 0.88 GSK3B (0.47) GSK3BGSK3APIM1PIM3MAPT
SCHEMBL13028291 0.87 GSK3B (0.47) GSK3BGSK3APIM1PIM3MAPT
SCHEMBL13028279 0.86 PIM2 (0.48) GSK3BGSK3APIM1PIM3MAPT
SCHEMBL13028268 0.86 GSK3B (0.50) GSK3BGSK3AMAPTATRPIM2
SCHEMBL13028260 0.85 GSK3B (0.47) GSK3BGSK3APIM1PIM3MAPT

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 GSK3B 192/4885GSK3A 218/4885PIM1 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.