SCHEMBL6016549

SCHEMBL6016549

CC(O)CNc1nc(NCc2ccc(O)c(O)c2)c2ncn(C(C)C)c2n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.74
CDK1 P06493 7/20 0.74
CDK9 P50750 3/20 0.68
CDK5 Q00535 5/20 0.62
TDP1 Q9NUW8 2/20 0.62
KDM4E B2RXH2 2/20 0.62
NPC1 O15118 2/20 0.62
MAPT P10636 2/20 0.62
CCNE1 P24864 7/20 0.61
CCNE2 O96020 5/20 0.61
CDK5R1 Q15078 3/20 0.61
CCNT1 O60563 2/20 0.61
CCNB2 O95067 3/20 0.60
CCNB1 P14635 3/20 0.60
CCNB3 Q8WWL7 3/20 0.60
FLT3 P36888 1/20 0.59
CCNA2 P20248 2/20 0.59
CCNA1 P78396 2/20 0.59
DYRK1A Q13627 2/20 0.57
CSNK1D P48730 1/20 0.57

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
SCHEMBL6016673 0.91 CDK2 (0.71) CDK2CDK1CDK9CDK5TDP1
SCHEMBL3082573 0.85 CDK1 (1.00) CDK2CDK1CDK9CDK5TDP1
SCHEMBL786063 0.85 CDK2 (0.68) CDK2CDK1CDK9CDK5CCNE1
SCHEMBL786062 0.85 CDK2 (0.68) CDK2CDK1CDK9CDK5CCNE1
SCHEMBL786562 0.84 CDK2 (0.71) CDK2CDK1CDK9CDK5CCNE1
SCHEMBL786561 0.84 CDK2 (0.71) CDK2CDK1CDK9CDK5CCNE1
SCHEMBL6016617 0.83 CDK1 (0.81) CDK2CDK1CDK9CDK5KDM4E
SCHEMBL6016614 0.83 CDK1 (0.81) CDK2CDK1CDK9CDK5KDM4E
SCHEMBL15118008 0.83 CDK2 (0.66) CDK2CDK1CDK9CDK5CCNE1
SCHEMBL15117810 0.83 CDK2 (0.75) CDK2CDK1CDK9CDK5CCNE1

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 4 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
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 CDK2 9/4885CDK1 7/4885CDK9 11/4885

“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.