SCHEMBL6016594

SCHEMBL6016594

CC(O)CNc1nc(NC(C)c2ccc(O)c(O)c2)c2ncn(C(C)C)c2n1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.59
CDK1 P06493 5/20 0.59
FLT3 P36888 1/20 0.58
CDK9 P50750 8/20 0.55
CCNE1 P24864 12/20 0.52
CDK5 Q00535 7/20 0.52
CCNT1 O60563 7/20 0.52
CDK5R1 Q15078 6/20 0.52
CDK7 P50613 3/20 0.48
CCNH P51946 3/20 0.48
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CCNE2 O96020 5/20 0.47
CCNT2 O60583 2/20 0.47
CCNB2 O95067 2/20 0.47
CCNB1 P14635 2/20 0.47
CCNB3 Q8WWL7 2/20 0.47

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 0.95 CDK2 (0.54) CDK2CDK1FLT3CDK9CCNE1
SCHEMBL6016456 0.83 CDK2 (0.63) CDK2CDK1CCNE1CDK5CDK5R1
SCHEMBL6016451 0.83 CDK2 (0.63) CDK2CDK1CCNE1CDK5CDK5R1
SCHEMBL6016549 0.83 CDK2 (0.74) CDK2CDK1FLT3CDK9CCNE1
SCHEMBL3444502 0.82 CDK1 (0.39) CDK2CDK1FLT3CDK9CCNE1
SCHEMBL3445590 0.81 CDK1 (0.37) CDK2CDK1FLT3CDK9KDM4E
SCHEMBL3445212 0.80 CDK1 (0.36) CDK2CDK1FLT3CDK9KDM4E
SCHEMBL786062 0.78 CDK2 (0.68) CDK2CDK1FLT3CDK9CCNE1
SCHEMBL786063 0.78 CDK2 (0.68) CDK2CDK1FLT3CDK9CCNE1
SCHEMBL6016359 0.78 CCNB2 (0.54) CDK2CDK1CDK9CCNE1CCNT1

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
EP-1244668-B1 PURINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND USE THEREOF UNIVERSITAIRE INSTELLING ANTWE (BE) 2006-04-05 EP 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 CDK2 9/4885CDK1 7/4885FLT3 739/4885

“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.