SCHEMBL11924154

SCHEMBL11924154

O=C(Nc1cnccc1N1CCNCC1)c1nnc(-n2cnc3ccccc32)o1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 4/20 0.55
▸ PIM3 Q86V86 4/20 0.55
▸ CHEK1 O14757 12/20 0.47
▸ PIM2 Q9P1W9 4/20 0.47
▸ GSK3B P49841 2/20 0.47
▸ PRKCA P17252 1/20 0.47
▸ PRKCQ Q04759 1/20 0.47
▸ ATR Q13535 2/20 0.43
▸ DYRK1A Q13627 1/20 0.40

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
SCHEMBL11924007 0.87 PIM1 (0.53) PIM1PIM3CHEK1PIM2GSK3B
SCHEMBL11924079 0.87 PIM1 (0.53) PIM1PIM3CHEK1PIM2GSK3B
SCHEMBL11923866 0.83 PIM1 (0.53) PIM1PIM3CHEK1PIM2GSK3B
SCHEMBL11924148 0.82 PIM1 (0.47) PIM1PIM3CHEK1PIM2GSK3B
SCHEMBL11924172 0.82 CHEK1 (0.65) PIM1PIM3CHEK1PIM2GSK3B
SCHEMBL13027680 0.82 PIM1 (0.55) PIM1PIM3CHEK1PIM2GSK3B
SCHEMBL11924221 0.81 PIM1 (0.52) PIM1PIM3CHEK1PIM2GSK3B
SCHEMBL11924168 0.80 PIM1 (0.47) PIM1PIM3CHEK1PIM2GSK3B
SCHEMBL11923929 0.80 PIM1 (0.53) PIM1PIM3CHEK1PIM2GSK3B
SCHEMBL12830791 0.78 CHEK1 (0.54) PIM1PIM3CHEK1PIM2GSK3B

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 4 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

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 PIM1 641/4885PIM3 951/4885CHEK1 129/4885

“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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