SCHEMBL11924366

SCHEMBL11924366

COc1cc2c(cc1OC)C(=O)N(c1ncc(C(=O)Nc3cnccc3N3CCN(C(=O)OC(C)(C)C)CC3)o1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ IGF1R P08069 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ RPS6KA3 P51812 1/20 0.43
▸ NEK2 P51955 1/20 0.43
▸ STK3 Q13188 1/20 0.43
▸ CAMK4 Q16566 1/20 0.43
▸ TSSK2 Q96PF2 1/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ GPR119 Q8TDV5 4/20 0.43
▸ BACE1 P56817 4/20 0.42
▸ DYRK1A Q13627 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ PIM1 P11309 2/20 0.38
▸ PIM3 Q86V86 2/20 0.38
▸ PIM2 Q9P1W9 2/20 0.38
▸ ATR Q13535 3/20 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
SCHEMBL11924363 0.90 CHEK1 (0.43) CHEK1JAK2ROCK2IGF1RMAPK1
SCHEMBL11923836 0.88 CHEK1 (0.55) CHEK1JAK2ROCK2IGF1RMAPK1
SCHEMBL11924066 0.85 CHEK1 (0.53) CHEK1JAK2ROCK2IGF1RMAPK1
SCHEMBL11924071 0.85 CHEK1 (0.46) CHEK1JAK2ROCK2IGF1RMAPK1
SCHEMBL13028069 0.84 CHEK1 (0.48) CHEK1JAK2ROCK2IGF1RMAPK1
SCHEMBL11924368 0.84 CHEK1 (0.45) CHEK1JAK2ROCK2IGF1RMAPK1
SCHEMBL11924070 0.83 CHEK1 (0.44) CHEK1JAK2ROCK2IGF1RMAPK1
SCHEMBL11924069 0.82 CHEK1 (0.46) CHEK1JAK2ROCK2IGF1RMAPK1
SCHEMBL11907492 0.81 CHEK1 (0.54) CHEK1JAK2ROCK2IGF1RMAPK1
SCHEMBL11924364 0.80 BACE1 (0.45) GPR119BACE1DYRK1AMAPK8PIM1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470183-B1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-16 — — EP disclosed
US-8669259-B2 Heterocyclic amide compounds as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-11 — — US disclosed
US-8669259-B2 Heterocyclic amide compounds as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-11 — — US disclosed
US-20120208826-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2012-08-16 — — US disclosed
US-20120208826-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2012-08-16 — — US disclosed
WO-2011025706-A2 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2011-03-03 — — 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-20120208826-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS CDK1, MTOR, GAK CHEK1 129/4885JAK2 128/4885ROCK2 852/4885

“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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