SCHEMBL12379217

SCHEMBL12379217

CCC#Cc1nc(N)c2ncn(C(C)C)c2n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 10/20 0.58
CCNB1 P14635 8/20 0.58
CDK2 P24941 2/20 0.58
CCNE1 P24864 1/20 0.58
ADORA2A P29274 5/20 0.49
ADORA2B P29275 4/20 0.49
ADORA1 P30542 2/20 0.49
PI4KA P42356 1/20 0.49
PI4K2B Q8TCG2 1/20 0.49
PI4K2A Q9BTU6 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
CCNB2 O95067 3/20 0.44
CDK5 Q00535 3/20 0.44
CCNB3 Q8WWL7 3/20 0.44
ADORA3 P0DMS8 2/20 0.44

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
SCHEMBL12379216 0.80 CDK1 (0.65) CDK1CCNB1CDK2CCNE1ADORA2A
SCHEMBL29611365 0.75 CDK1 (1.00) CDK1CCNB1CDK2CCNE1ADORA2A
SCHEMBL756644 0.75 CDK1 (1.00) CDK1CCNB1CDK2CCNE1ADORA2A
SCHEMBL784159 0.73 CDK2 (0.73) CDK1CCNB1CDK2CCNE1ADORA2A
SCHEMBL253874 0.73 ADORA2A (0.58) CDK1CCNB1CDK2CCNE1ADORA2A
SCHEMBL9884992 0.73 ADORA2A (0.58) CDK1CCNB1CDK2CCNE1ADORA2A
SCHEMBL4572147 0.73 ADORA2A (0.58) CDK1CCNB1CDK2CCNE1ADORA2A
SCHEMBL24235899 0.72 CDK2 (0.71) CDK1CCNB1CDK2CCNE1ADORA2A
SCHEMBL22700170 0.72 CDK1 (0.71) CDK1CCNB1CDK2CCNE1ADORA2A
SCHEMBL14039518 0.72 CDK1 (0.71) CDK1CCNB1CDK2CCNE1ADORA2A

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
US-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 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-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 CDK1 2791/4885CCNB1 193/4885CDK2 3708/4885

“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.