SCHEMBL13068385

SCHEMBL13068385

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 5/20 0.49
PIM3 Q86V86 2/20 0.49
GPR119 Q8TDV5 2/20 0.45
GSK3B P49841 5/20 0.45
GSK3A P49840 3/20 0.45
BACE1 P56817 1/20 0.44
TBK1 Q9UHD2 2/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GBA1 P04062 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCQ Q04759 1/20 0.41
PIK3CD O00329 1/20 0.40
CFTR P13569 1/20 0.40
ATR Q13535 1/20 0.40
MMP13 P45452 1/20 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
SCHEMBL13068222 0.90 GSK3B (0.49) PIM2GPR119GSK3BGSK3ABACE1
SCHEMBL13068215 0.88 GBA1 (0.54) PIM2PIM3GPR119GSK3BGSK3A
SCHEMBL13067803 0.88 GSK3B (0.48) PIM2PIM3GPR119GSK3BGSK3A
SCHEMBL13068391 0.86 GSK3B (0.45) PIM2PIM3GPR119GSK3BGSK3A
SCHEMBL13067927 0.86 GSK3B (0.45) PIM2PIM3GPR119GSK3BGSK3A
SCHEMBL13027817 0.86 CHEK1 (0.51) PIM2PIM3GSK3BGSK3AATR
SCHEMBL13961713 0.85 PIM2 (0.48) PIM2PIM3GSK3BGSK3AMAPT
SCHEMBL13028279 0.85 PIM2 (0.48) PIM2PIM3GSK3BGSK3AMAPT
SCHEMBL13067638 0.85 GSK3B (0.46) PIM2PIM3GPR119GSK3BGSK3A
SCHEMBL13068381 0.85 MAPT (0.49) PIM2GPR119GSK3BGSK3ABACE1

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 929/4885GPR119 1738/4885

“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.