SCHEMBL13028274

SCHEMBL13028274

CB(O)N1CCN(c2ccncc2NC(=O)c2ccnc(-c3cccnc3)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.49
GSK3A P49840 4/20 0.49
PIM3 Q86V86 4/20 0.45
PIM2 Q9P1W9 4/20 0.45
PIM1 P11309 3/20 0.45
CYP1A2 P05177 3/20 0.43
CHEK1 O14757 1/20 0.43
MAPT P10636 3/20 0.42
PPARG P37231 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
CYP2D6 P10635 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1A Q13627 2/20 0.42

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
SCHEMBL13028290 0.92 GSK3B (0.50) GSK3BGSK3APIM3PIM2PIM1
SCHEMBL13028260 0.88 GSK3B (0.47) GSK3BGSK3APIM3PIM2PIM1
SCHEMBL13028267 0.88 GSK3B (0.48) GSK3BGSK3APIM3PIM2PIM1
SCHEMBL13028271 0.87 GSK3B (0.45) GSK3BGSK3APIM3PIM2PIM1
SCHEMBL13028279 0.87 PIM2 (0.48) GSK3BGSK3APIM3PIM2PIM1
SCHEMBL13028261 0.87 GSK3B (0.47) GSK3BGSK3APIM3PIM2PIM1
SCHEMBL13028283 0.87 GSK3B (0.47) GSK3BGSK3APIM3PIM2PIM1
SCHEMBL13028266 0.87 GSK3B (0.50) GSK3BGSK3APIM3PIM2PIM1
SCHEMBL13028306 0.87 GSK3B (0.47) GSK3BGSK3APIM3PIM2PIM1
SCHEMBL13028292 0.87 GSK3B (0.44) GSK3BGSK3APIM3PIM2PIM1

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 218/4885PIM3 929/4885

“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.