SCHEMBL22946897

SCHEMBL22946897

O=C(NCc1c(F)cccc1C(F)(F)F)c1nc(-c2cncs2)nc2ccsc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 12/20 1.00
▸ ADORA2B P29275 7/20 0.43
▸ ADORA2A P29274 4/20 0.43
▸ KLKB1 P03952 1/20 0.40

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
SCHEMBL30142564 1.00 CD38 (1.00) CD38ADORA2BADORA2AKLKB1
SCHEMBL29494891 0.85 CD38 (1.00) CD38ADORA2AKLKB1
SCHEMBL22932675 0.85 CD38 (1.00) CD38ADORA2AKLKB1
SCHEMBL22946861 0.78 CD38 (1.00) CD38ADORA2BADORA2A
SCHEMBL29696387 0.78 CD38 (1.00) CD38ADORA2BADORA2A
SCHEMBL22933159 0.76 CD38 (0.70) CD38KLKB1
SCHEMBL29696520 0.76 CD38 (0.70) CD38KLKB1
SCHEMBL31484638 0.74 CD38 (0.58) CD38
SCHEMBL31484487 0.71 CD38 (1.00) CD38KLKB1
SCHEMBL22932801 0.71 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 1/4885ADORA2B 972/4885ADORA2A 671/4885
US-20230312586-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 CD38, PARP12, ENTPD2 CD38 1/4885ADORA2B 972/4885ADORA2A 671/4885
US-11535621-B2 Heterobicyclic amides as inhibitors of CD38 CD38, PARP12, ENTPD2 CD38 1/4885ADORA2B 972/4885ADORA2A 671/4885

“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.

Send feedback