SCHEMBL24417941

SCHEMBL24417941

CCCn1nc(C)c(-c2cc(F)nc(O[C@@H]3CCN(c4cn[nH]c(=O)c4)C3)c2)c1C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.33
▸ CETP P11597 1/20 0.32
▸ TIPARP Q7Z3E1 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ PIK3CD O00329 2/20 0.30
▸ ACACB O00763 1/20 0.30
▸ PGR P06401 1/20 0.30
▸ NR3C2 P08235 1/20 0.30

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
SCHEMBL29618609 1.00 HRH3 (0.33) HRH3CETPTIPARPCHRM4PIK3CD
SCHEMBL24417963 0.85 POLB (0.36) CETPTIPARPCHRM4ACACB
SCHEMBL29618696 0.85 POLB (0.36) CETPTIPARPCHRM4ACACB
SCHEMBL29618627 0.79 TIPARP (0.36) TIPARPCHRM4
SCHEMBL24417967 0.79 TIPARP (0.36) TIPARPCHRM4
SCHEMBL24417844 0.78 TIPARP (0.38) TIPARP
SCHEMBL29618581 0.78 TIPARP (0.38) TIPARP
SCHEMBL24417508 0.78 POLB (0.36) TIPARPCHRM4
SCHEMBL24417582 0.78 TIPARP (0.35) TIPARPCHRM4
SCHEMBL29618633 0.78 POLB (0.36) TIPARPCHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807626-B2 Compounds and methods for CD73 modulation and indications therefor Opna Bio SA (CH) 2023-11-07 — — 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 (2 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-11807626-B2 Compounds and methods for CD73 modulation and indications therefor ENTPD5, ENTPD1, ADORA2A HRH3 1309/4885CETP 2157/4885TIPARP 2121/4885
US-20220144805-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ENTPD1, ADORA2A HRH3 1317/4885CETP 2160/4885TIPARP 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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