SCHEMBL13028126

SCHEMBL13028126

COc1ccc2c(c1)CCN(c1cccc(C(=O)Nc3cnccc3N3CCN(C(=O)OC(C)(C)C)CC3)n1)C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 4/20 0.48
▸ ROCK2 O75116 2/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ IGF1R P08069 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ AKT1 P31749 1/20 0.48
▸ RPS6KA3 P51812 1/20 0.48
▸ NEK2 P51955 1/20 0.48
▸ STK3 Q13188 1/20 0.48
▸ CAMK4 Q16566 1/20 0.48
▸ TSSK2 Q96PF2 1/20 0.48
▸ IRAK4 Q9NWZ3 1/20 0.48
▸ BACE1 P56817 6/20 0.43
▸ DYRK1A Q13627 2/20 0.41
▸ BRD4 O60885 1/20 0.39
▸ GSK3B P49841 2/20 0.38
▸ PIM2 Q9P1W9 2/20 0.38
▸ PRKCA P17252 1/20 0.38
▸ PRKCQ Q04759 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL13028125 0.94 CHEK1 (0.53) CHEK1ROCK2JAK2IGF1RMAPK1
SCHEMBL13028074 0.94 CHEK1 (0.52) CHEK1ROCK2JAK2IGF1RMAPK1
SCHEMBL13028130 0.91 CHEK1 (0.44) CHEK1ROCK2JAK2IGF1RMAPK1
SCHEMBL13028131 0.90 CHEK1 (0.49) CHEK1ROCK2JAK2IGF1RMAPK1
SCHEMBL13028065 0.89 CHEK1 (0.59) CHEK1ROCK2JAK2IGF1RMAPK1
SCHEMBL13027416 0.88 CHEK1 (0.62) CHEK1ROCK2JAK2IGF1RMAPK1
SCHEMBL13028134 0.87 CHEK1 (0.49) CHEK1ROCK2JAK2IGF1RMAPK1
SCHEMBL13028075 0.86 CHEK1 (0.48) CHEK1ROCK2JAK2IGF1RMAPK1
SCHEMBL13028084 0.85 CHEK1 (0.46) CHEK1ROCK2JAK2IGF1RMAPK1
SCHEMBL13028122 0.85 BACE1 (0.45) CHEK1ROCK2JAK2IGF1RMAPK1

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 CHEK1 113/4885ROCK2 716/4885JAK2 115/4885

“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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