SCHEMBL29618698

SCHEMBL29618698

Cc1nn(CCN2CCOCC2)c(C)c1-c1cc(F)nc(O[C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 8/20 0.40
▸ POLB P06746 3/20 0.34
▸ P2RX7 Q99572 1/20 0.32
▸ KRAS P01116 1/20 0.32
▸ TRPC5 Q9UL62 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ SLC16A3 O15427 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ CHRM4 P08173 1/20 0.31

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
SCHEMBL24417510 1.00 TIPARP (0.40) TIPARPPOLBP2RX7KRASTRPC5
SCHEMBL24417508 0.94 POLB (0.36) TIPARPPOLBTRPC5ALDH1A1CHRM4
SCHEMBL29618633 0.94 POLB (0.36) TIPARPPOLBTRPC5ALDH1A1CHRM4
SCHEMBL29618696 0.91 POLB (0.36) TIPARPPOLBTRPC5ALDH1A1CHRM4
SCHEMBL24417963 0.91 POLB (0.36) TIPARPPOLBTRPC5ALDH1A1CHRM4
SCHEMBL24417967 0.90 TIPARP (0.36) TIPARPPOLBTRPC5ALDH1A1CHRM4
SCHEMBL29618627 0.90 TIPARP (0.36) TIPARPPOLBTRPC5ALDH1A1CHRM4
SCHEMBL24417582 0.89 TIPARP (0.35) TIPARPPOLBTRPC5ALDH1A1CHRM4
SCHEMBL24417844 0.89 TIPARP (0.38) TIPARPPOLBTRPC5ALDH1A1KCNH2
SCHEMBL29618564 0.89 TIPARP (0.35) TIPARPPOLBTRPC5ALDH1A1CHRM4

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 TIPARP 2121/4885POLB 1748/4885P2RX7 48/4885
US-20240174640-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ENTPD1, ADORA2A TIPARP 2121/4885POLB 1748/4885P2RX7 48/4885
US-11807626-B2 Compounds and methods for CD73 modulation and indications therefor ENTPD5, ENTPD1, ADORA2A TIPARP 2121/4885POLB 1748/4885P2RX7 48/4885
US-20220144805-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ENTPD1, ADORA2A TIPARP 2143/4885POLB 1741/4885P2RX7 49/4885

“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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