SCHEMBL23755847

SCHEMBL23755847

CCOC(=O)c1cc2ccnc(C3CCN(C(=O)OC(C)(C)C)CC3)c2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.51
▸ ALDH1A1 P00352 6/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ TP53 P04637 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ NPSR1 Q6W5P4 4/20 0.46
▸ GAA P10253 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TSHR P16473 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44

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
SCHEMBL29941903 1.00 HPGD (0.51) HPGDALDH1A1KDM4ETP53POLB
SCHEMBL25581557 0.88 KDM4E (0.46) HPGDALDH1A1KDM4ENPSR1GAA
SCHEMBL29942710 0.83 TP53 (0.49) HPGDALDH1A1KDM4ETP53POLB
SCHEMBL23756494 0.83 TP53 (0.49) HPGDALDH1A1KDM4ETP53POLB
SCHEMBL23777041 0.81 CDK1 (0.45) HPGDALDH1A1KDM4EPOLBGAA
SCHEMBL23755573 0.79 ALDH1A1 (0.44) HPGDALDH1A1KDM4ETP53POLB
SCHEMBL29942231 0.79 ALDH1A1 (0.44) HPGDALDH1A1KDM4ETP53POLB
SCHEMBL15642824 0.78 RAB9A (0.51) HPGDALDH1A1KDM4ETP53POLB
SCHEMBL23756602 0.78 PDE10A (0.46) JAK1GPR119
SCHEMBL23756010 0.78 HPGD (0.49) HPGDALDH1A1KDM4ETP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4103559-B1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2026-03-04 — — EP disclosed
US-12473304-B2 Heterocyclic PAD4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-11-18 — — US disclosed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 — — US disclosed
EP-4103559-A1 HETEROCYCLIC PAD4 INHIBITORS Bristol-Myers Squibb Company (US) 2022-12-21 — — EP disclosed
CN-115348961-A Heterocyclic PAD4 inhibitors 百时美施贵宝公司 2022-11-15 — — CN disclosed
WO-2021163254-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-19 — — 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 (2 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-12473304-B2 Heterocyclic PAD4 inhibitors PADI6, PADI4, PADI1 HPGD 950/4885ALDH1A1 411/4885KDM4E 195/4885
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 HPGD 338/4885ALDH1A1 104/4885KDM4E 300/4885

“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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