SCHEMBL21311451

SCHEMBL21311451

CC(C)n1cnc2cnc(O)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.40
CDK1 P06493 9/20 0.40
CCNB1 P14635 6/20 0.40
CCNE1 P24864 2/20 0.40
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
HCAR3 P49019 1/20 0.36
CCNA2 P20248 6/20 0.35
CCNA1 P78396 6/20 0.35
CDK5 Q00535 5/20 0.35
DYRK1A Q13627 5/20 0.35
CDK5R1 Q15078 5/20 0.35
CCNB2 O95067 3/20 0.33
CCNB3 Q8WWL7 3/20 0.33
PRKACA P17612 1/20 0.33

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
SCHEMBL15828265 0.80 CDK2 (0.41) CDK2CDK1CCNB1CCNE1ADORA2A
SCHEMBL28192314 0.79 CDK2 (0.40) CDK2CDK1CCNB1CCNE1ADORA2A
SCHEMBL6364047 0.79 CDK2 (0.56) CDK2CDK1CCNB1CCNE1ADORA2A
SCHEMBL27984740 0.79 CDK1 (0.43) CDK2CDK1CCNB1CCNE1ADORA2A
SCHEMBL1496411 0.79 CDK2 (0.46) CDK2CDK1CCNB1CCNE1ADORA2A
SCHEMBL17807736 0.79 CDK2 (0.40) CDK2CDK1CCNB1CCNE1ADORA2A
SCHEMBL21311457 0.77 ADA (0.39) KDM4E
SCHEMBL12831960 0.76 CYP1A2 (0.50) CDK2CDK1CCNB1CCNE1MAPK1
SCHEMBL18510356 0.76 CDK1 (0.38) CDK2CDK1CCNB1CCNE1ADORA2A
SCHEMBL18510348 0.76 CYP1A2 (0.50) CDK2CDK1CCNB1CCNE1MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-08-29 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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS POLRMT, EIF2AK2, NSUN3 CDK2 4322/4885CDK1 4187/4885CCNB1 4396/4885

“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.