SCHEMBL6016540

SCHEMBL6016540

CC(C)n1cnc2c(N[C@H](CO)c3ccccc3)nc(NC[C@H](C)O)nc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 16/20 0.71
CDK5 Q00535 11/20 0.71
CDK2 P24941 8/20 0.68
FLT3 P36888 1/20 0.59
CCNE1 P24864 3/20 0.58
CCNE2 O96020 2/20 0.58
CDK9 P50750 4/20 0.58
TDP1 Q9NUW8 2/20 0.56
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 1/20 0.56
MAPT P10636 1/20 0.56
CSNK1D P48730 3/20 0.55
CLK2 P49760 3/20 0.55
DYRK1A Q13627 3/20 0.55
CLK4 Q9HAZ1 3/20 0.55
HIPK4 Q8NE63 2/20 0.55
SRPK1 Q96SB4 2/20 0.55
CDK7 P50613 3/20 0.54
CSNK1G2 P78368 2/20 0.54
CSNK1G1 Q9HCP0 2/20 0.54

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
SCHEMBL6016542 1.00 CDK1 (0.71) CDK1CDK5CDK2FLT3CCNE1
SCHEMBL6016588 1.00 CDK1 (0.71) CDK1CDK5CDK2FLT3CCNE1
SCHEMBL6016536 0.89 CDK1 (0.72) CDK1CDK5CDK2CCNE1CCNE2
SCHEMBL6016531 0.89 CDK1 (0.72) CDK1CDK5CDK2CCNE1CCNE2
SCHEMBL6016491 0.85 CDK5 (0.72) CDK1CDK5CDK2CCNE1CCNE2
SCHEMBL6016657 0.85 CDK5 (0.72) CDK1CDK5CDK2CCNE1CCNE2
SCHEMBL6016726 0.85 CDK5 (0.72) CDK1CDK5CDK2CCNE1CCNE2
SCHEMBL6016494 0.85 CDK5 (0.72) CDK1CDK5CDK2CCNE1CCNE2
SCHEMBL6016653 0.85 CDK5 (0.72) CDK1CDK5CDK2CCNE1CCNE2
SCHEMBL6016435 0.85 CDK1 (0.66) CDK1CDK5CDK2CCNE1CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1244668-B1 PURINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND USE THEREOF UNIVERSITAIRE INSTELLING ANTWE (BE) 2006-04-05 EP disclosed
US-20030187261-A1 Purine derivatives, process for their preparation and use thereof USTAV EXPERIMANTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2003-10-02 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-20030187261-A1 Purine derivatives, process for their preparation and use thereof DCK, DTYMK, CCNK CDK1 7/4885CDK5 23/4885CDK2 9/4885

“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.