SCHEMBL29618596

SCHEMBL29618596

CNC(=O)Cn1nc(C)c(-c2ccnc(O[C@@H]3CCN(c4cn[nH]c(=O)c4Cl)C3)c2)c1C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 12/20 0.35
▸ TRPC5 Q9UL62 1/20 0.35
▸ TIPARP Q7Z3E1 5/20 0.34
▸ KDR P35968 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 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
SCHEMBL24417497 1.00 ACACB (0.35) ACACBTRPC5TIPARPKDRTLR9
SCHEMBL29618562 0.93 TIPARP (0.36) ACACBTRPC5TIPARP
SCHEMBL29050883 0.93 TIPARP (0.36) ACACBTRPC5TIPARP
SCHEMBL23933188 0.93 TIPARP (0.36) ACACBTRPC5TIPARP
SCHEMBL23933170 0.93 TRPC5 (0.37) ACACBTRPC5TIPARP
SCHEMBL24417387 0.89 TRPC5 (0.38) TRPC5TIPARP
SCHEMBL29618558 0.89 TRPC5 (0.38) TRPC5TIPARP
SCHEMBL24417444 0.88 TIPARP (0.40) ACACBTRPC5TIPARP
SCHEMBL24417498 0.88 TRPC5 (0.37) ACACBTRPC5TIPARP
SCHEMBL29618494 0.88 TIPARP (0.40) ACACBTRPC5TIPARP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12202818-B2 Compounds and methods for CD73 modulation and indications therefor Opna Bio SA (CH) 2025-01-21 — — US disclosed
EP-4139296-B1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2024-09-18 — — EP disclosed
US-20240174640-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2024-05-30 — — US disclosed
US-11807626-B2 Compounds and methods for CD73 modulation and indications therefor Opna Bio SA (CH) 2023-11-07 — — US disclosed
US-20220144805-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2022-05-12 — — 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 (4 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-12202818-B2 Compounds and methods for CD73 modulation and indications therefor ENTPD5, ENTPD1, ADORA2A ACACB 3744/4885TRPC5 1082/4885TIPARP 2121/4885
US-20240174640-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ENTPD1, ADORA2A ACACB 3744/4885TRPC5 1082/4885TIPARP 2121/4885
US-11807626-B2 Compounds and methods for CD73 modulation and indications therefor ENTPD5, ENTPD1, ADORA2A ACACB 3744/4885TRPC5 1082/4885TIPARP 2121/4885
US-20220144805-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ENTPD1, ADORA2A ACACB 3713/4885TRPC5 1089/4885TIPARP 2143/4885

“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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