SCHEMBL11924016

SCHEMBL11924016

O=C(Nc1cnccc1N1CCNCC1)c1ncc(-n2ncc3ccccc32)o1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 14/20 0.65
▸ PIM1 P11309 1/20 0.51
▸ PIM3 Q86V86 1/20 0.51
▸ PRKCA P17252 1/20 0.48
▸ GSK3B P49841 1/20 0.48
▸ PRKCQ Q04759 1/20 0.48
▸ PIM2 Q9P1W9 1/20 0.48
▸ ATR Q13535 2/20 0.44
▸ GSK3A P49840 2/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL11923865 0.87 CHEK1 (0.66) CHEK1PIM1PIM3PRKCAGSK3B
SCHEMBL11924172 0.86 CHEK1 (0.65) CHEK1PIM1PIM3PRKCAGSK3B
SCHEMBL11924096 0.84 CHEK1 (0.65) CHEK1PIM1PIM3PRKCAGSK3B
SCHEMBL11924022 0.83 PIM2 (0.56) PIM1PIM3PRKCAGSK3BPRKCQ
SCHEMBL11924024 0.83 PIM2 (0.56) PIM1PIM3PRKCAGSK3BPRKCQ
SCHEMBL11924007 0.82 PIM1 (0.53) CHEK1PIM1PIM3PRKCAGSK3B
SCHEMBL13028248 0.81 CHEK1 (0.71) CHEK1PIM1PIM3PRKCAGSK3B
SCHEMBL11923995 0.81 PIM1 (0.49) CHEK1PIM1PIM3PRKCAGSK3B
SCHEMBL11924013 0.81 PIM1 (0.49) CHEK1PIM1PIM3PRKCAGSK3B
SCHEMBL11924006 0.80 PIM1 (0.48) CHEK1PIM1PIM3PRKCAGSK3B

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-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 129/4885PIM1 641/4885PIM3 951/4885

“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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