SCHEMBL24836168

SCHEMBL24836168

CC(C)(C)OC(=O)Nc1nc(Cl)nc2c1ncn2[C@H]1CC(N=[N+]=[N-])[C@@H](CO)O1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.47
▸ ADORA3 P0DMS8 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ LMNA P02545 3/20 0.44
▸ PNP P00491 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ TK1 P04183 2/20 0.42
▸ TSHR P16473 2/20 0.41
▸ ALB P02768 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41

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
SCHEMBL24026356 0.86 PNP (0.60) NT5EADORA3ADORA1LMNAPNP
SCHEMBL17920431 0.86 PNP (0.60) NT5EADORA3ADORA1LMNAPNP
SCHEMBL17920510 0.86 PNP (0.60) NT5EADORA3ADORA1LMNAPNP
SCHEMBL19959565 0.86 NT5E (0.49) NT5EADORA3ADORA1RXFP1
SCHEMBL17920478 0.78 ADORA1 (0.61) NT5EADORA3ADORA1LMNATP53
SCHEMBL24835571 0.76 NT5E (0.58) NT5EADORA3ADORA1LMNATP53
SCHEMBL17920514 0.76 NT5E (0.70) NT5EADORA3ADORA1PDE4DPDE3A
SCHEMBL17920435 0.76 NT5E (0.70) NT5EADORA3ADORA1PDE4DPDE3A
SCHEMBL15499077 0.75 LMNA (0.51) NT5ELMNAPNPTP53HTT
SCHEMBL15496609 0.75 LMNA (0.51) NT5ELMNAPNPTP53HTT

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 NT5E 1/4885ADORA3 23/4885ADORA1 36/4885

“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.

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