SCHEMBL13028165

SCHEMBL13028165

CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccccc2NC(=O)c2cccc(-n3ncc4ccccc43)n2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.45
▸ JAK3 P52333 2/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ MAP4K4 O95819 2/20 0.44
▸ PDE10A Q9Y233 2/20 0.44
▸ KIF18A Q8NI77 1/20 0.43
▸ PIM1 P11309 2/20 0.43
▸ PIM3 Q86V86 2/20 0.43
▸ NTRK3 Q16288 1/20 0.41
▸ NTRK2 Q16620 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ CKS1B P61024 1/20 0.40
▸ SKP1 P63208 1/20 0.40
▸ SKP2 Q13309 1/20 0.40
▸ AURKA O14965 3/20 0.40
▸ PDPK1 O15530 3/20 0.40
▸ AURKB Q96GD4 3/20 0.40
▸ PIM2 Q9P1W9 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ F10 P00742 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
SCHEMBL13028160 1.00 BTK (0.45) BTKJAK3CHEK1MAP4K4PDE10A
SCHEMBL13028166 0.93 CHEK1 (0.47) BTKJAK3CHEK1MAP4K4PDE10A
SCHEMBL13028164 0.93 CHEK1 (0.47) BTKJAK3CHEK1MAP4K4PDE10A
SCHEMBL13027504 0.82 PIM3 (0.50) CHEK1PIM1PIM3NTRK3NTRK2
SCHEMBL13027496 0.82 PIM3 (0.50) CHEK1PIM1PIM3NTRK3NTRK2
SCHEMBL4438374 0.76 BTK (0.46) BTKJAK3MAP4K4PDE10AKIF18A
SCHEMBL4438377 0.76 BTK (0.46) BTKJAK3MAP4K4PDE10AKIF18A
SCHEMBL15400953 0.76 JAK3 (0.55) BTKJAK3MAP4K4PDE10AKIF18A
SCHEMBL13027520 0.75 PIM2 (0.59) CHEK1PIM1PIM3PIM2
SCHEMBL13027503 0.75 PIM2 (0.59) CHEK1PIM1PIM3PIM2

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 BTK 589/4885JAK3 147/4885CHEK1 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.

Send feedback