SCHEMBL25093589

SCHEMBL25093589

CNC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.48
▸ PARP1 P09874 3/20 0.48
▸ GPR119 Q8TDV5 6/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ EGLN2 Q96KS0 1/20 0.43
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ACHE P22303 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 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
SCHEMBL25093449 0.85 PARP1 (0.49) BACE1PARP1GPR119
SCHEMBL30212537 0.84 BACE1 (0.52) BACE1PARP1MAPTMEN1TSHR
SCHEMBL22912731 0.84 BACE1 (0.52) BACE1PARP1MAPTMEN1TSHR
SCHEMBL30212597 0.83 BACE1 (0.56) BACE1MAPTMEN1TSHRKMT2A
SCHEMBL29790202 0.83 BACE1 (0.53) BACE1PARP1MAPTMEN1TSHR
SCHEMBL25543742 0.83 BACE1 (0.53) BACE1PARP1GPR119MAPTMEN1
SCHEMBL22912768 0.83 BACE1 (0.53) BACE1PARP1MAPTMEN1TSHR
SCHEMBL22912729 0.83 BACE1 (0.56) BACE1MAPTMEN1TSHRKMT2A
SCHEMBL30638885 0.83 BACE1 (0.53) BACE1PARP1GPR119MAPTMEN1
SCHEMBL16040669 0.83 GPR119 (0.52) GPR119MAPTMEN1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343710-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF 1CBIO, INC. 2024-10-17 — — US disclosed
WO-2024178127-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF 1CBIO, INC. (US) 2024-08-29 — — WO disclosed
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 (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-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP12 BACE1 1449/4885PARP1 1/4885GPR119 3965/4885
US-20240343710-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PARP1, PARP11, PARP12 BACE1 1468/4885PARP1 1/4885GPR119 2236/4885
US-20220348574-A1 PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP12 BACE1 1449/4885PARP1 1/4885GPR119 3965/4885
US-11591331-B2 PARP1 inhibitors and uses thereof PARP1, PARP11, PARP12 BACE1 1449/4885PARP1 1/4885GPR119 3965/4885

“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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