SCHEMBL13027449

SCHEMBL13027449

O=C(Nc1cnccc1N1CCNCC1)c1cccc(N2CCc3c(F)ccc(F)c3C2)n1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 12/20 0.58
▸ GSK3B P49841 4/20 0.49
▸ PIM2 Q9P1W9 2/20 0.49
▸ PRKCA P17252 1/20 0.49
▸ PRKCQ Q04759 1/20 0.49
▸ PIM1 P11309 2/20 0.48
▸ PIM3 Q86V86 2/20 0.48
▸ GSK3A P49840 3/20 0.45
▸ ATR Q13535 1/20 0.45
▸ IRAK4 Q9NWZ3 1/20 0.45

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
SCHEMBL13027450 0.92 CHEK1 (0.57) CHEK1GSK3BPIM2PRKCAPRKCQ
SCHEMBL13028174 0.92 CHEK1 (0.55) CHEK1GSK3BPIM2PRKCAPRKCQ
SCHEMBL13027689 0.86 CHEK1 (0.56) CHEK1GSK3BPIM2PRKCAPRKCQ
SCHEMBL13027437 0.85 CHEK1 (0.66) CHEK1GSK3BPIM2PRKCAPRKCQ
SCHEMBL13960746 0.85 CHEK1 (0.45) CHEK1GSK3BPIM2PIM1PIM3
SCHEMBL13028139 0.85 BACE1 (0.45) CHEK1GSK3BPIM2PIM1PIM3
SCHEMBL13027434 0.82 CHEK1 (0.64) CHEK1GSK3BPIM2PRKCAPRKCQ
SCHEMBL13027568 0.81 CHEK1 (0.59) CHEK1GSK3BPIM2PRKCAPRKCQ
SCHEMBL13027461 0.80 CHEK1 (0.60) CHEK1GSK3BPIM2PRKCAPRKCQ
SCHEMBL13027728 0.80 CHEK1 (0.55) CHEK1GSK3BPIM2PRKCAPRKCQ

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 113/4885GSK3B 192/4885PIM2 890/4885

“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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