SCHEMBL13028122

SCHEMBL13028122

COc1cccc(N2CCN(c3cccc(C(=O)Nc4cnccc4N4CCN(C(=O)OC(C)(C)C)CC4)n3)C2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 5/20 0.45
▸ ROCK2 O75116 3/20 0.44
▸ CHEK1 O14757 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ IGF1R P08069 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ AKT1 P31749 1/20 0.44
▸ RPS6KA3 P51812 1/20 0.44
▸ NEK2 P51955 1/20 0.44
▸ STK3 Q13188 1/20 0.44
▸ CAMK4 Q16566 1/20 0.44
▸ TSSK2 Q96PF2 1/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.44
▸ DYRK1A Q13627 2/20 0.43
▸ PRKG1 Q13976 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TSHR P16473 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
SCHEMBL13027415 0.87 CHEK1 (0.57) ROCK2CHEK1JAK2IGF1RMAPK1
SCHEMBL13028065 0.85 CHEK1 (0.59) BACE1ROCK2CHEK1JAK2IGF1R
SCHEMBL13028074 0.85 CHEK1 (0.52) BACE1ROCK2CHEK1JAK2IGF1R
SCHEMBL13028125 0.85 CHEK1 (0.53) BACE1ROCK2CHEK1JAK2IGF1R
SCHEMBL13028126 0.85 CHEK1 (0.48) BACE1ROCK2CHEK1JAK2IGF1R
SCHEMBL13028134 0.84 CHEK1 (0.49) BACE1ROCK2CHEK1JAK2IGF1R
SCHEMBL13028075 0.84 CHEK1 (0.48) BACE1ROCK2CHEK1JAK2IGF1R
SCHEMBL13028069 0.82 CHEK1 (0.48) BACE1ROCK2CHEK1JAK2IGF1R
SCHEMBL13028082 0.81 BACE1 (0.45) BACE1ROCK2CHEK1JAK2IGF1R
SCHEMBL13028100 0.81 CHEK1 (0.43) BACE1ROCK2CHEK1JAK2IGF1R

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-8742139-B2 No-carrier-added nucleophilic [F-18] fluorination of aromatic compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-06-03 — — US disclosed
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 550/4885ROCK2 716/4885CHEK1 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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