SCHEMBL13028382

SCHEMBL13028382

COc1cc2c(cc1OC)CN(c1nc(O)cc(C(=O)Nc3cnccc3N3CCN(C(=O)OC(C)(C)C)CC3)n1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 5/20 0.46
▸ GPR119 Q8TDV5 3/20 0.44
▸ CHEK1 O14757 3/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ IGF1R P08069 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ RPS6KA3 P51812 1/20 0.41
▸ NEK2 P51955 1/20 0.41
▸ STK3 Q13188 1/20 0.41
▸ CAMK4 Q16566 1/20 0.41
▸ TSSK2 Q96PF2 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ TLR9 Q9NR96 2/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ ALK Q9UM73 2/20 0.40
▸ MEN1 O00255 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
SCHEMBL13028223 0.91 GPR119 (0.46) BACE1GPR119CHEK1JAK2ROCK2
SCHEMBL13027716 0.86 CHEK1 (0.56) CHEK1JAK2ROCK2IGF1RMAPK1
SCHEMBL13028071 0.86 BACE1 (0.47) BACE1GPR119CHEK1JAK2ROCK2
SCHEMBL11924372 0.85 BACE1 (0.43) BACE1GPR119CHEK1JAK2ROCK2
SCHEMBL13960755 0.84 GPR119 (0.45) GPR119TLR9TLR7ALKMAPT
SCHEMBL13028142 0.83 CHEK1 (0.46) BACE1GPR119CHEK1JAK2ROCK2
SCHEMBL13028384 0.82 GPR119 (0.44) BACE1GPR119PIM1PIM3TLR9
SCHEMBL11924364 0.82 BACE1 (0.45) BACE1GPR119PIM1PIM3ALK
SCHEMBL13028069 0.79 CHEK1 (0.48) BACE1GPR119CHEK1JAK2ROCK2
SCHEMBL13028075 0.78 CHEK1 (0.48) BACE1GPR119CHEK1JAK2ROCK2

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 4 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

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 BACE1 550/4885GPR119 1738/4885CHEK1 113/4885

“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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