SCHEMBL24835574

SCHEMBL24835574

C[C@@H](O)n1cnc2c(N)nc(Cl)nc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.59
CDK2 P24941 4/20 0.54
CCNB1 P14635 1/20 0.54
CCNE1 P24864 1/20 0.54
PDE8A O60658 4/20 0.49
PDE2A O00408 1/20 0.49
PDE4D Q08499 1/20 0.49
KCNH2 Q12809 1/20 0.49
PDE10A Q9Y233 1/20 0.49
ADORA3 P0DMS8 6/20 0.48
ADORA2A P29274 5/20 0.48
ADORA1 P30542 4/20 0.48
CFTR P13569 1/20 0.46
ADORA2B P29275 1/20 0.44
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
CCNA2 P20248 2/20 0.42
CCNA1 P78396 2/20 0.42

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
SCHEMBL3441256 0.87 CDK2 (0.71) CDK1CDK2CCNB1CCNE1PDE8A
SCHEMBL24434593 0.86 CDK1 (0.61) CDK1CDK2CCNB1CCNE1PDE8A
SCHEMBL28083712 0.84 CDK1 (0.76) CDK1CDK2CCNB1CCNE1PDE2A
SCHEMBL27897027 0.84 CDK2 (0.44) CDK1CDK2CCNB1CCNE1ADORA3
SCHEMBL23619350 0.82 CDK1 (0.56) CDK1CDK2CCNB1CCNE1PDE8A
SCHEMBL22402774 0.82 ADORA2A (0.62) CDK1CDK2CCNB1CCNE1PDE8A
SCHEMBL11258114 0.80 CDK1 (0.51) CDK1CDK2CCNB1CCNE1PDE8A
SCHEMBL26349114 0.80 CDK1 (0.58) CDK1CDK2CCNB1CCNE1PDE8A
SCHEMBL27748107 0.80 CDK1 (0.54) CDK1CDK2CCNB1CCNE1PDE8A
SCHEMBL23867144 0.79 CDK1 (0.56) CDK1CDK2CCNB1CCNE1PDE8A

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-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2023-01-05 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-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 CDK1 2642/4885CDK2 2444/4885CCNB1 3929/4885

“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.