SCHEMBL2077909

SCHEMBL2077909

O=C(O)c1cnnn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
HSD11B1 P28845 13/20 0.50
GRN P28799 1/20 0.50
SORT1 Q99523 1/20 0.50
HTT P42858 1/20 0.46
RPA1 P27694 1/20 0.45

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
SCHEMBL29851972 0.87 TSHR (0.44) ALDH1A1GAAHSD11B1GRNSORT1
SCHEMBL13838792 0.85 HSD11B1 (0.55) ALDH1A1GAAHSD11B1GRNSORT1
SCHEMBL7672960 0.85 RIPK2 (0.50) ALDH1A1GAAHSD11B1
SCHEMBL14705877 0.84 L3MBTL1 (0.48) HSD11B1
SCHEMBL16245907 0.84 HSD11B1 (0.51) ALDH1A1HSD11B1HTTRPA1
SCHEMBL14711270 0.84 TSHR (0.41) ALDH1A1GAAHSD11B1GRNSORT1
SCHEMBL31673603 0.83 HSD11B1 (0.51) ALDH1A1HSD11B1
SCHEMBL31499491 0.83 HSD11B1 (0.57) ALDH1A1GAAHSD11B1RPA1
SCHEMBL28823984 0.82 BRS3 (0.43) GAA
SCHEMBL27866346 0.82 MAPK14 (0.44) ALDH1A1GAAHSD11B1GRNSORT1

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052365-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-03-09 US claimed
JP-2006505526-A 2006-02-16 JP claimed
EP-1539178-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2005-06-15 EP claimed
WO-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 WO claimed
US-20260049074-A1 THIADIAZOLYL DERIVATIVES IDEAYA BIOSCIENCES, INC. (US) 2026-02-19 US disclosed
US-12509454-B2 Thiadiazolyl derivatives IDEAYA BIOSCIENCES, INC. (US) 2025-12-30 US disclosed
EP-3976608-B1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES INC (US) 2023-11-08 EP disclosed
US-20230078112-A1 THIADIAZOLYL DERIVATIVES IDEAYA BIOSCIENCES, INC. 2023-03-16 US disclosed
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
EP-3976608-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2022-04-06 EP disclosed
CN-114127062-A Thiadiazolyl derivatives as inhibitors of DNA polymerase Theta 伊迪亚生物科学有限公司 2022-03-01 CN disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
WO-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 WO disclosed
US-6608077-B2 Sulfonamide substituted diphenyl urea derivatives; treating chemokine mediated disease SMITHKLINE BEECHAM CORPORATION 2003-08-19 US disclosed
US-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-03-20 US disclosed
US-20030055286-A1 Sulfonamide substituted diphenyl urea derivatives; treating chemokine mediated disease SMITHKLINE BEECHAM CORPORATION 2003-03-20 US disclosed
EP-1261336-A2 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-12-04 EP disclosed
WO-2001068568-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-20 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 (8 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-20260049074-A1 THIADIAZOLYL DERIVATIVES POLH, POLM, POLD1 ALDH1A1 2481/4885GAA 2465/4885HSD11B1 196/4885
US-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 ALDH1A1 4193/4885GAA 616/4885HSD11B1 4346/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 ALDH1A1 4193/4885GAA 616/4885HSD11B1 4346/4885
US-20060052365-A1 Protease inhibitors CTSS, CTSE, CMA1 ALDH1A1 1528/4885GAA 104/4885HSD11B1 1073/4885
US-20030055286-A1 Sulfonamide substituted diphenyl urea derivatives; treating chemokine mediated disease CXCL8, CCR8, CCL2 ALDH1A1 353/4885GAA 4283/4885HSD11B1 837/4885
US-20230078112-A1 THIADIAZOLYL DERIVATIVES POLQ, POLK, POLA1 ALDH1A1 1907/4885GAA 1146/4885HSD11B1 380/4885
US-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals EDNRA, VEGFA, EDNRB ALDH1A1 583/4885GAA 4017/4885HSD11B1 425/4885
US-12509454-B2 Thiadiazolyl derivatives POLD1, POLQ, DNA2 ALDH1A1 1747/4885GAA 2449/4885HSD11B1 217/4885

“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.