SCHEMBL24835901

SCHEMBL24835901

CCOC(=O)C(Cc1ccccc1)(OC[C@@H](OC)[C@@H](O)[C@@H](O)n1cnc2c(NCc3ccccc3)nc(Cl)nc21)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 7/20 0.51
▸ NT5E P21589 9/20 0.46
▸ CDK5 Q00535 1/20 0.42
▸ CCNE1 P24864 5/20 0.41
▸ CDK2 P24941 5/20 0.41
▸ CDK4 P11802 4/20 0.41
▸ CCNB1 P14635 4/20 0.41
▸ CCND1 P24385 4/20 0.41
▸ CDK7 P50613 4/20 0.41
▸ CCNH P51946 4/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL24026343 0.84 NT5E (0.55) CDK1NT5ECDK5
SCHEMBL20350737 0.82 NT5E (0.49) NT5E
SCHEMBL22216669 0.82 NT5E (0.49) NT5E
SCHEMBL20350816 0.81 NT5E (0.50) NT5E
SCHEMBL24835577 0.81 NT5E (0.49) NT5E
SCHEMBL22215137 0.80 CDK1 (0.57) CDK1NT5ECDK5CDK2KDM4E
SCHEMBL21602048 0.75 NT5E (0.46) CDK1NT5E
SCHEMBL24026326 0.75 NT5E (0.45) NT5E
SCHEMBL20333416 0.75 NT5E (0.73) NT5EADORA3ADORA1
SCHEMBL24026246 0.75 NT5E (0.59) NT5E

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 2642/4885NT5E 1/4885CDK5 788/4885

“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.

Send feedback