SCHEMBL22047273

SCHEMBL22047273

CCC(C)c1cn(C(C)C)c(=O)nc1N

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
TSHR P16473 1/20 0.31
AR P10275 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL18287861 0.84 CDK1 (0.34) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL22327308 0.79 CDK1 (0.33) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL12206794 0.75 ADORA2A (0.36) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL24538994 0.74 TET2 (0.40) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL10137844 0.74 ADORA2A (0.38) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL10137834 0.74 CDK1 (0.34) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL23615800 0.73 TBK1 (0.35) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL8840859 0.72
SCHEMBL25753271 0.72 TLR8 (0.31)
SCHEMBL22815034 0.71 CDK1 (0.33) CDK1CCNB1CCNE1CDK2ADORA2A

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-20200172896-A1 EVOLUTION OF BIOACTIVE SEQUENCE-DEFINED SYNTHETIC POLYMERS USING DNA-TEMPLATED POLYMERIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-06-04 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-20200172896-A1 EVOLUTION OF BIOACTIVE SEQUENCE-DEFINED SYNTHETIC POLYMERS USING DNA-TEMPLATED POLYMERIZATION PCSK9, IL6, PCSK6 CDK1 2159/4885CCNB1 2649/4885CCNE1 3977/4885

“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.