SCHEMBL23756010

SCHEMBL23756010

CCOC(=O)c1cc2ccnc(C3CCN(C(=O)OC(C)(C)C)CC3)c2n1CC1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.49
▸ ALDH1A1 P00352 5/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ GAA P10253 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CHRM4 P08173 1/20 0.45
▸ TP53 P04637 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ TSHR P16473 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GPR119 Q8TDV5 4/20 0.43

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
SCHEMBL29941862 1.00 HPGD (0.49) HPGDALDH1A1KDM4EGAAMEN1
Bicarbonate SCHEMBL30122459 0.97 HPGD (0.46) HPGDALDH1A1KDM4EGAAMEN1
SCHEMBL25581559 0.89 JAK2 (0.42) HPGDALDH1A1KDM4EGAAMEN1
SCHEMBL23777029 0.86 CHRM4 (0.41) ALDH1A1KDM4EGAASMN1; SMN2CHRM4
SCHEMBL29942552 0.84 TP53 (0.47) HPGDALDH1A1KDM4EGAAMEN1
SCHEMBL23756102 0.84 TP53 (0.47) HPGDALDH1A1KDM4EGAAMEN1
SCHEMBL23755449 0.84 JAK2 (0.42) HPGDALDH1A1KDM4EGAAMEN1
SCHEMBL29942780 0.84 JAK2 (0.42) HPGDALDH1A1KDM4EGAAMEN1
SCHEMBL23777030 0.83 CHRM4 (0.39) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL23755591 0.83 JAK2 (0.43) HPGDALDH1A1KDM4EGAAMEN1

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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