SCHEMBL13030937

SCHEMBL13030937

CCC(CO)Nc1cc(NCc2ccccc2)c2ncn(C(C)C)c2n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 4/20 0.79
▸ CDK1 P06493 13/20 0.68
▸ CDK5 Q00535 9/20 0.68
▸ CDK2 P24941 7/20 0.68
▸ CCNE1 P24864 6/20 0.68
▸ CDK7 P50613 5/20 0.68
▸ CCNK O75909 5/20 0.68
▸ CDK12 Q9NYV4 5/20 0.68
▸ CCNB1 P14635 5/20 0.68
▸ CDK9 P50750 4/20 0.68
▸ CCNB2 O95067 3/20 0.68
▸ CCNB3 Q8WWL7 3/20 0.68
▸ CDK4 P11802 3/20 0.68
▸ CCND1 P24385 3/20 0.68
▸ MAPK1 P28482 3/20 0.68
▸ CCNH P51946 3/20 0.68
▸ CSNK1D P48730 2/20 0.68
▸ CLK2 P49760 2/20 0.68
▸ CSNK1G2 P78368 2/20 0.68
▸ CLK4 Q9HAZ1 2/20 0.68

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
SCHEMBL3508659 1.00 DYRK1A (0.79) DYRK1ACDK1CDK5CDK2CCNE1
SCHEMBL13030936 1.00 DYRK1A (0.79) DYRK1ACDK1CDK5CDK2CCNE1
SCHEMBL14964304 0.94 DYRK1A (0.82) DYRK1ACDK1CDK5CDK2CCNE1
SCHEMBL14964249 0.94 DYRK1A (0.82) DYRK1ACDK1CDK5CDK2CCNE1
SCHEMBL13030940 0.89 DYRK1A (1.00) DYRK1ACDK1CDK5CDK2CCNE1
SCHEMBL14964582 0.89 DYRK1A (1.00) DYRK1ACDK1CDK5CDK2CCNE1
SCHEMBL13030939 0.89 DYRK1A (1.00) DYRK1ACDK1CDK5CDK2CCNE1
SCHEMBL13072058 0.84 KDM4E (0.60) DYRK1ACDK1CDK5CDK2CCNE1
SCHEMBL13030951 0.83 DYRK1A (0.92) DYRK1ACDK1CDK5CDK2CCNE1
SCHEMBL18106095 0.82 CDK1 (0.68) DYRK1ACDK1CDK5CDK2CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450342-B2 Perharidines as CDK inhibitors CENTRE NATIONALE DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-05-28 — — US disclosed
US-8450342-B2 Perharidines as CDK inhibitors CENTRE NATIONALE DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-05-28 — — US disclosed
US-8450342-B2 Perharidines as CDK inhibitors CENTRE NATIONALE DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-05-28 — — US disclosed
US-20100280065-A1 PERHARIDINES AS CDK INHIBITORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-11-04 — — US disclosed
US-20100280065-A1 PERHARIDINES AS CDK INHIBITORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-11-04 — — US disclosed
WO-2009034411-A1 PERHARIDINES AS CDK INHIBITORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-03-19 — — WO disclosed
WO-2009034475-A2 PERHARIDINES AS CDK INHIBITORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-03-19 — — 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-20100280065-A1 PERHARIDINES AS CDK INHIBITORS CDK4, CDK9, CDK7 DYRK1A 1090/4885CDK1 10/4885CDK5 5/4885

“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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