SCHEMBL6016512

SCHEMBL6016512

CC(C)n1cnc2c(NCc3ccc(O)c(O)c3)ncnc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 13/20 0.78
CCNB2 O95067 12/20 0.78
CCNB1 P14635 12/20 0.78
CCNB3 Q8WWL7 12/20 0.78
CDK2 P24941 3/20 0.69
MAPK1 P28482 1/20 0.64
MAPK8 P45983 1/20 0.64
CSNK1A1 P48729 1/20 0.64
CSNK1D P48730 1/20 0.64
CDK7 P50613 1/20 0.64
CCNH P51946 1/20 0.64
MNAT1 P51948 1/20 0.64
PRKAG1 P54619 1/20 0.55
PRKAA1 Q13131 1/20 0.55
PRKAB1 Q9Y478 1/20 0.55
CCNE2 O96020 1/20 0.49
CCNE1 P24864 1/20 0.49
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 2/20 0.49
MAPT P10636 2/20 0.49

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
SCHEMBL754120 0.82 CDK1 (1.00) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL30539284 0.82 CDK1 (1.00) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL7041292 0.80 CDK1 (1.00) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL6016549 0.80 CDK2 (0.74) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL6016673 0.79 CDK2 (0.71) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL7146120 0.79 CCNB2 (0.52) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL22789735 0.78 CDK2 (1.00) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL6016359 0.78 CCNB2 (0.54) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL6016614 0.78 CDK1 (0.81) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL6016617 0.78 CDK1 (0.81) CDK1CCNB2CCNB1CCNB3CDK2

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
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
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 7/4885CCNB2 127/4885CCNB1 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.