SCHEMBL29618549

SCHEMBL29618549

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ HCRTR1 O43613 8/20 0.34
▸ HCRTR2 O43614 8/20 0.34
▸ ACACB O00763 7/20 0.33
▸ RET P07949 3/20 0.32
▸ IKBKE Q14164 1/20 0.32
▸ TBK1 Q9UHD2 1/20 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
SCHEMBL24417950 1.00 DHODH (0.34) DHODHPDE10AHCRTR1HCRTR2ACACB
SCHEMBL29618484 0.96 HCRTR1 (0.33) DHODHPDE10AHCRTR1HCRTR2ACACB
SCHEMBL24417943 0.96 HCRTR1 (0.33) DHODHPDE10AHCRTR1HCRTR2ACACB
SCHEMBL26747330 0.92 DHODH (0.34) DHODHPDE10AHCRTR1HCRTR2ACACB
SCHEMBL29618621 0.89 MRGPRX1 (0.36) HCRTR1HCRTR2ACACBRET
SCHEMBL24417860 0.89 MRGPRX1 (0.36) HCRTR1HCRTR2ACACBRET
SCHEMBL24417519 0.85 MRGPRX1 (0.35) ACACB
SCHEMBL29618460 0.85 MRGPRX1 (0.35) ACACB
SCHEMBL24417817 0.83 DHODH (0.38) DHODHPDE10AHCRTR1HCRTR2ACACB
SCHEMBL29618602 0.83 DHODH (0.38) DHODHPDE10AHCRTR1HCRTR2ACACB

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 DHODH 972/4885PDE10A 298/4885HCRTR1 868/4885
US-20240174640-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ENTPD1, ADORA2A DHODH 972/4885PDE10A 298/4885HCRTR1 868/4885
US-11807626-B2 Compounds and methods for CD73 modulation and indications therefor ENTPD5, ENTPD1, ADORA2A DHODH 972/4885PDE10A 298/4885HCRTR1 868/4885
US-20220144805-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ENTPD1, ADORA2A DHODH 969/4885PDE10A 304/4885HCRTR1 877/4885

“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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