SCHEMBL22932801

SCHEMBL22932801

O=C(NCc1c(F)cccc1C(F)(F)F)c1cc(-c2cncs2)cc2cc[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 14/20 1.00
▸ KLKB1 P03952 3/20 0.39
▸ ROCK2 O75116 2/20 0.38
▸ ROCK1 Q13464 2/20 0.38
▸ TNIK Q9UKE5 1/20 0.37

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
SCHEMBL31484487 1.00 CD38 (1.00) CD38KLKB1ROCK2ROCK1TNIK
SCHEMBL22936300 0.87 CD38 (1.00) CD38KLKB1ROCK2ROCK1
SCHEMBL29696536 0.87 CD38 (1.00) CD38KLKB1ROCK2ROCK1
SCHEMBL23305439 0.86 CD38 (0.76) CD38KLKB1
SCHEMBL22936235 0.86 CD38 (0.77) CD38KLKB1ROCK2ROCK1
SCHEMBL29696551 0.86 CD38 (0.77) CD38KLKB1ROCK2ROCK1
SCHEMBL29495266 0.83 CD38 (0.70) CD38KLKB1
SCHEMBL28722468 0.83 CD38 (0.70) CD38KLKB1
SCHEMBL22932675 0.80 CD38 (1.00) CD38KLKB1
SCHEMBL29494891 0.80 CD38 (1.00) CD38KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114423753-A Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2022-04-29 — — CN claimed
US-20230312586-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-05 — — US disclosed
US-20230312586-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-05 — — US disclosed
US-11535621-B2 Heterobicyclic amides as inhibitors of CD38 RIBON THERAPEUTICS, INC. (US) 2022-12-27 — — US disclosed
CN-114423753-A Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2022-04-29 — — CN disclosed
WO-2021021986-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 RIBON THERAPEUTICS, INC. (US) 2021-02-04 — — WO disclosed
US-20210032251-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-04 — — 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 (3 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-20210032251-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 CD38, PARP12, ENTPD2 CD38 1/4885KLKB1 2496/4885ROCK2 2590/4885
US-20230312586-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 CD38, PARP12, ENTPD2 CD38 1/4885KLKB1 2496/4885ROCK2 2590/4885
US-11535621-B2 Heterobicyclic amides as inhibitors of CD38 CD38, PARP12, ENTPD2 CD38 1/4885KLKB1 2496/4885ROCK2 2590/4885

“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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