SCHEMBL25093449

SCHEMBL25093449

CNC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c(C#N)n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 6/20 0.49
▸ GPR119 Q8TDV5 11/20 0.49
▸ SMARCA2 P51531 1/20 0.45
▸ SMARCA4 P51532 1/20 0.45
▸ PBRM1 Q86U86 1/20 0.45
▸ ABCB1 P08183 1/20 0.40
▸ BACE1 P56817 1/20 0.39

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
SCHEMBL27137201 0.86 PARP1 (0.53) PARP1SMARCA2SMARCA4PBRM1
SCHEMBL26456085 0.85 SMARCA2 (0.47) GPR119SMARCA2SMARCA4PBRM1ABCB1
SCHEMBL30869214 0.85 SMARCA2 (0.47) PARP1GPR119SMARCA2SMARCA4PBRM1
SCHEMBL25093589 0.85 BACE1 (0.48) PARP1GPR119BACE1
SCHEMBL24649831 0.77 GPR119 (0.49) PARP1GPR119SMARCA2SMARCA4PBRM1
SCHEMBL24649920 0.77 GPR119 (0.49) PARP1GPR119SMARCA2SMARCA4PBRM1
SCHEMBL24649965 0.77 GPR119 (0.49) PARP1GPR119SMARCA2SMARCA4PBRM1
SCHEMBL29271658 0.76 GPR119 (0.39) PARP1GPR119BACE1
SCHEMBL29271666 0.76 GPR119 (0.39) PARP1GPR119BACE1
SCHEMBL29271660 0.76 GPR119 (0.39) PARP1GPR119BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4326720-A1 PARP1 INHIBITORS AND USES THEREOF Xinthera, Inc. (US) 2024-02-28 — — EP disclosed
CN-117177972-A PARP1 inhibitors and uses thereof 新特拉有限公司 2023-12-05 — — CN disclosed
US-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-04-27 — — US disclosed
US-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-04-27 — — US disclosed
US-11591331-B2 PARP1 inhibitors and uses thereof XINTHERA, INC. (US) 2023-02-28 — — US disclosed
US-11591331-B2 PARP1 inhibitors and uses thereof XINTHERA, INC. (US) 2023-02-28 — — US disclosed
US-20220348574-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2022-11-03 — — US disclosed
WO-2022225934-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. (US) 2022-10-27 — — WO 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-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP12 PARP1 1/4885GPR119 3965/4885SMARCA2 365/4885
US-20220348574-A1 PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP12 PARP1 1/4885GPR119 3965/4885SMARCA2 365/4885
US-11591331-B2 PARP1 inhibitors and uses thereof PARP1, PARP11, PARP12 PARP1 1/4885GPR119 3965/4885SMARCA2 365/4885

“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