SCHEMBL29618484

SCHEMBL29618484

Cc1nn(C)c(C)c1-c1ccnc(O[C@@H]2CCN(c3cnn(CCCO)c(=O)c3C#N)C2)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 9/20 0.33
▸ HCRTR2 O43614 9/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ ACACB O00763 7/20 0.32
▸ RET P07949 3/20 0.32

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
SCHEMBL24417943 1.00 HCRTR1 (0.33) HCRTR1HCRTR2DHODHPDE10AACACB
SCHEMBL29618549 0.96 DHODH (0.34) HCRTR1HCRTR2DHODHPDE10AACACB
SCHEMBL24417950 0.96 DHODH (0.34) HCRTR1HCRTR2DHODHPDE10AACACB
SCHEMBL26747330 0.94 DHODH (0.34) HCRTR1HCRTR2DHODHPDE10AACACB
SCHEMBL29618460 0.89 MRGPRX1 (0.35) ACACB
SCHEMBL24417519 0.89 MRGPRX1 (0.35) ACACB
SCHEMBL24417860 0.85 MRGPRX1 (0.36) HCRTR1HCRTR2ACACBRET
SCHEMBL29618621 0.85 MRGPRX1 (0.36) HCRTR1HCRTR2ACACBRET
SCHEMBL24417817 0.82 DHODH (0.38) HCRTR1HCRTR2DHODHPDE10AACACB
SCHEMBL29618602 0.82 DHODH (0.38) HCRTR1HCRTR2DHODHPDE10AACACB

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 4 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
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 HCRTR1 868/4885HCRTR2 766/4885DHODH 972/4885
US-20240174640-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ENTPD1, ADORA2A HCRTR1 868/4885HCRTR2 766/4885DHODH 972/4885
US-11807626-B2 Compounds and methods for CD73 modulation and indications therefor ENTPD5, ENTPD1, ADORA2A HCRTR1 868/4885HCRTR2 766/4885DHODH 972/4885
US-20220144805-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ENTPD1, ADORA2A HCRTR1 877/4885HCRTR2 776/4885DHODH 969/4885

“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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