SCHEMBL13028384

SCHEMBL13028384

COc1cc2c(cc1OC)CN(c1ccnc(C(=O)Nc3cnccc3N3CCN(C(=O)OC(C)(C)C)CC3)n1)C2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.44
▸ BACE1 P56817 3/20 0.42
▸ DYRK1A Q13627 1/20 0.40
▸ ALK Q9UM73 5/20 0.40
▸ GSK3B P49841 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PIM2 Q9P1W9 3/20 0.39
▸ TLR9 Q9NR96 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ SMPD3 Q9NY59 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ PRKCA P17252 1/20 0.39
▸ PRKCQ Q04759 1/20 0.39
▸ CFTR P13569 1/20 0.39
▸ TBK1 Q9UHD2 1/20 0.39
▸ SUV39H2 Q9H5I1 1/20 0.38

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
SCHEMBL13028071 0.87 BACE1 (0.47) GPR119BACE1DYRK1AALKMAPT
SCHEMBL13027897 0.86 CHEK1 (0.50) DYRK1AGSK3BPIM2PIM1PIM3
SCHEMBL13028223 0.86 GPR119 (0.46) GPR119BACE1DYRK1AALKGSK3B
SCHEMBL13028142 0.83 CHEK1 (0.46) GPR119BACE1DYRK1AALKPIM2
SCHEMBL13028382 0.82 BACE1 (0.46) GPR119BACE1DYRK1AALKMAPT
SCHEMBL11924364 0.82 BACE1 (0.45) GPR119BACE1DYRK1AALKGSK3B
SCHEMBL11924372 0.82 BACE1 (0.43) GPR119BACE1DYRK1AALKMAPT
SCHEMBL13960755 0.81 GPR119 (0.45) GPR119ALKMAPTTLR9TLR7
SCHEMBL13028075 0.79 CHEK1 (0.48) GPR119BACE1DYRK1AGSK3BMAPT
SCHEMBL13028069 0.77 CHEK1 (0.48) GPR119BACE1DYRK1AALKGSK3B

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 GPR119 1738/4885BACE1 550/4885DYRK1A 1401/4885

“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.

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