SCHEMBL29618503

SCHEMBL29618503

Cc1nn(C)c(C)c1-c1ccnc(O[C@@H]2CCN(c3cn[nH]c(=O)c3)C2)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 15/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ JAK3 P52333 1/20 0.35
▸ FPR2 P25090 1/20 0.34
▸ PROKR1 Q8TCW9 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34

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
SCHEMBL24417828 1.00 ACACB (0.37) ACACBHRH3PIK3CDJAK3FPR2
SCHEMBL29618575 0.84 POLB (0.39) FPR2PROKR1
SCHEMBL24417966 0.84 POLB (0.39) FPR2PROKR1
SCHEMBL29618602 0.82 DHODH (0.38) ACACBPIK3CDJAK3FPR2PROKR1
SCHEMBL24417817 0.82 DHODH (0.38) ACACBPIK3CDJAK3FPR2PROKR1
SCHEMBL26747831 0.76 FPR2 (0.35) ACACBFPR2PROKR1CDK4CCND1
SCHEMBL24417941 0.76 HRH3 (0.33) ACACBHRH3PIK3CD
SCHEMBL29618609 0.76 HRH3 (0.33) ACACBHRH3PIK3CD
SCHEMBL24417798 0.74 TIPARP (0.37) —
SCHEMBL29618499 0.74 TIPARP (0.37) —

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 3744/4885HRH3 1309/4885PIK3CD 3068/4885
US-20240174640-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ENTPD1, ADORA2A ACACB 3744/4885HRH3 1309/4885PIK3CD 3068/4885
US-11807626-B2 Compounds and methods for CD73 modulation and indications therefor ENTPD5, ENTPD1, ADORA2A ACACB 3744/4885HRH3 1309/4885PIK3CD 3068/4885
US-20220144805-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ENTPD1, ADORA2A ACACB 3713/4885HRH3 1317/4885PIK3CD 3073/4885

“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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