SCHEMBL13027394

SCHEMBL13027394

Cn1c(=O)n(-c2cccc(C(=O)Nc3cnccc3N3CCNCC3)n2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 16/20 0.55
▸ PIM1 P11309 2/20 0.48
▸ PIM3 Q86V86 2/20 0.48
▸ IRAK4 Q9NWZ3 2/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ IGF1R P08069 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ AKT1 P31749 1/20 0.47
▸ RPS6KA3 P51812 1/20 0.47
▸ NEK2 P51955 1/20 0.47
▸ STK3 Q13188 1/20 0.47
▸ CAMK4 Q16566 1/20 0.47
▸ TSSK2 Q96PF2 1/20 0.47
▸ PRKCA P17252 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ PRKCQ Q04759 1/20 0.46
▸ PIM2 Q9P1W9 1/20 0.46

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
SCHEMBL13027442 0.87 CHEK1 (0.50) CHEK1PIM1PIM3IRAK4JAK2
SCHEMBL13027462 0.87 CHEK1 (0.51) CHEK1PIM1PIM3IRAK4JAK2
SCHEMBL13027459 0.87 CHEK1 (0.53) CHEK1PIM1PIM3IRAK4JAK2
SCHEMBL12826458 0.86 CHEK1 (0.70) CHEK1IRAK4JAK2ROCK2IGF1R
SCHEMBL13028079 0.85 BACE1 (0.47) CHEK1PIM1PIM3GSK3BPIM2
SCHEMBL13027408 0.85 CHEK1 (0.49) CHEK1PIM1PIM3IRAK4JAK2
SCHEMBL13015474 0.85 CHEK1 (0.56) CHEK1PIM1PIM3IRAK4JAK2
SCHEMBL13027446 0.84 CHEK1 (0.53) CHEK1PIM1PIM3IRAK4JAK2
SCHEMBL13027451 0.84 CHEK1 (0.53) CHEK1PIM1PIM3IRAK4JAK2
SCHEMBL13156317 0.84 CHEK1 (0.66) CHEK1PIM1PIM3IRAK4JAK2

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 CHEK1 113/4885PIM1 677/4885PIM3 929/4885

“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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