SCHEMBL3608716

SCHEMBL3608716

CC(=O)NCCCNc1nnccc1-c1ncnc(Nc2cccc(Cl)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.50
KDR P35968 3/20 0.50
CDK5 Q00535 3/20 0.50
CDK5R1 Q15078 3/20 0.50
CDK4 P11802 2/20 0.50
CCNB1 P14635 2/20 0.50
CCNA2 P20248 2/20 0.50
CCND1 P24385 2/20 0.50
CDK2 P24941 2/20 0.50
CDK7 P50613 2/20 0.50
CCNH P51946 2/20 0.50
CCNB2 O95067 1/20 0.50
CCND3 P30281 1/20 0.50
CSNK1A1 P48729 1/20 0.50
CSNK1D P48730 1/20 0.50
CSNK1E P49674 1/20 0.50
CSNK1G2 P78368 1/20 0.50
CCNA1 P78396 1/20 0.50
CDK6 Q00534 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50

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
SCHEMBL3602339 0.90 CDK1 (0.51) CDK1KDRCDK5CDK5R1CDK4
SCHEMBL3611150 0.87 CDK2 (0.50) CDK1KDRCDK5CDK5R1CDK4
SCHEMBL3617310 0.85 CDK1 (0.53) CDK1KDRCDK5CDK5R1CDK4
SCHEMBL3609687 0.83 KDM4E (0.49) CDK1KDRCDK5CDK5R1SIRT5
SCHEMBL3598884 0.81 CDK1 (0.46) CDK1KDRCDK5CDK5R1CDK4
SCHEMBL3605169 0.77 CDK2 (0.51) CDK1KDRCDK5CDK5R1CDK4
SCHEMBL3602605 0.77 CDK2 (0.50) CDK1KDRCDK5CDK5R1CDK4
SCHEMBL3608990 0.76 MAPT (0.52) CDK1CDK5CDK5R1CDK4CCNB1
SCHEMBL3611125 0.75 MAPT (0.52) CDK1CDK5CDK5R1CDK4CCNB1
SCHEMBL3608421 0.74 CDK2 (0.52) CDK1KDRCDK5CDK5R1CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 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-20100048597-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 CDK1 3769/4885KDR 3785/4885CDK5 2948/4885

“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.