SCHEMBL6016359

SCHEMBL6016359

CC(Nc1ncnc2c1ncn2C(C)C)c1ccc(O)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 11/20 0.54
CDK1 P06493 11/20 0.54
CCNB1 P14635 11/20 0.54
CCNB3 Q8WWL7 11/20 0.54
CDK2 P24941 7/20 0.48
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
MAPK1 P28482 1/20 0.43
MAPK8 P45983 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
CDK7 P50613 1/20 0.43
CCNH P51946 1/20 0.43
MNAT1 P51948 1/20 0.43
CCNE1 P24864 5/20 0.42

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
SCHEMBL7148905 0.86 CDK2 (0.54) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL6016594 0.78 CDK2 (0.59) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL6016512 0.78 CDK1 (0.78) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL6016451 0.77 CDK2 (0.63) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL6016456 0.77 CDK2 (0.63) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL26936162 0.76 CDK1 (0.59) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL6016566 0.74 LMNA (0.42)
SCHEMBL756298 0.72 YTHDC1 (0.62) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL6016636 0.71 CDK1 (0.62) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL6016516 0.71 EGFR (0.45)

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
EP-1244668-B1 PURINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND USE THEREOF UNIVERSITAIRE INSTELLING ANTWE (BE) 2006-04-05 EP claimed
US-20030187261-A1 Purine derivatives, process for their preparation and use thereof USTAV EXPERIMANTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2003-10-02 US claimed
EP-1244668-A1 PURINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND USE THEREOF UNIVERSITAIRE INSTELLING ANTWERPEN (BE) 2002-10-02 EP claimed
WO-2001049688-A1 PURINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND USE THEREOF UNIVERSITAIRE INSTELLING ANTWERPEN (BE) 2001-07-12 WO claimed
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 CCNB2 127/4885CDK1 7/4885CCNB1 105/4885

“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.