SCHEMBL13030951

SCHEMBL13030951

CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)cc(NC(CO)CO)nc21

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 8/20 0.92
▸ CDK2 P24941 12/20 0.66
▸ CDK5 Q00535 12/20 0.66
▸ CDK9 P50750 11/20 0.66
▸ CCNA2 P20248 10/20 0.66
▸ CCNT1 O60563 8/20 0.66
▸ CDK1 P06493 8/20 0.66
▸ CDK5R1 Q15078 7/20 0.66
▸ CCNK O75909 7/20 0.66
▸ CDK12 Q9NYV4 7/20 0.66
▸ CCNE1 P24864 6/20 0.66
▸ CDK7 P50613 5/20 0.66
▸ CCNB1 P14635 3/20 0.66
▸ CCNH P51946 3/20 0.66
▸ MNAT1 P51948 3/20 0.66
▸ CDK4 P11802 2/20 0.66
▸ CCND1 P24385 2/20 0.66
▸ CCNA1 P78396 8/20 0.60
▸ CSNK1A1 P48729 7/20 0.60
▸ GSK3B P49841 3/20 0.60

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
SCHEMBL14964582 0.96 DYRK1A (1.00) DYRK1ACDK2CDK5CDK9CCNA2
SCHEMBL13030940 0.96 DYRK1A (1.00) DYRK1ACDK2CDK5CDK9CCNA2
SCHEMBL13030939 0.96 DYRK1A (1.00) DYRK1ACDK2CDK5CDK9CCNA2
SCHEMBL14977879 0.91 DYRK1A (0.79) DYRK1ACDK2CDK5CDK9CCNA2
SCHEMBL14964241 0.91 DYRK1A (0.79) DYRK1ACDK2CDK5CDK9CCNA2
SCHEMBL14964243 0.91 DYRK1A (0.79) DYRK1ACDK2CDK5CDK9CCNA2
SCHEMBL3506799 0.89 DYRK1A (0.77) DYRK1ACDK2CDK5CDK9CCNA2
SCHEMBL14964232 0.88 DYRK1A (0.75) DYRK1ACDK2CDK5CDK9CCNA2
SCHEMBL13907136 0.86 DYRK1A (0.75) DYRK1ACDK2CDK5CDK9CCNA2
SCHEMBL14964249 0.86 DYRK1A (0.82) DYRK1ACDK2CDK5CDK9CCNA2

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-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-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 1090/4885CDK2 7/4885CDK5 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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