SCHEMBL3389626

SCHEMBL3389626

C[Si](C)(C)CCOCn1ccc(I)n1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.32
NPC1 O15118 1/20 0.31

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
SCHEMBL401354 0.83 ALDH1A1 (0.39) DGAT1NPC1
SCHEMBL3496820 0.81 DGAT1 (0.35) DGAT1NPC1
SCHEMBL20745963 0.81 DGAT1 (0.31) DGAT1NPC1
SCHEMBL30789772 0.80 DGAT1 (0.33) DGAT1NPC1
SCHEMBL20744490 0.80 DGAT1 (0.40) DGAT1NPC1
SCHEMBL31308722 0.80 DGAT1 (0.35) DGAT1NPC1
SCHEMBL23791796 0.79
SCHEMBL5246866 0.79 NPC1 (0.33) DGAT1NPC1
SCHEMBL31741697 0.79 DGAT1 (0.32) DGAT1NPC1
SCHEMBL17110040 0.79 DGAT1 (0.34) DGAT1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260049085-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. (US) 2026-02-19 US disclosed
EP-4665734-A1 CYCLIN-DEPENDENT KINASE (CDK2) INHIBITORS Novartis AG (CH) 2025-12-24 EP disclosed
US-20250179070-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC (CA) 2025-06-05 US disclosed
EP-4558505-A2 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2025-05-28 EP disclosed
CN-119923398-A Cyclic compounds and methods of use thereof 薛定谔公司 2025-05-02 CN disclosed
EP-4543882-A1 MICROBIOCIDAL BICYCLIC HETEROCYCLIC CARBOXAMIDE DERIVATIVES Syngenta Crop Protection AG (CH) 2025-04-30 EP disclosed
US-12264155-B2 Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use as ATR kinase inhibitors REPARE THERAPEUTICS INC. (CA) 2025-04-01 US disclosed
US-20250026750-A1 SULFOXIMINE-CONTAINING ATR INHIBITOR COMPOUND CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2025-01-23 US disclosed
WO-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed
WO-2024171094-A1 CYCLIN-DEPENDENT KINASE (CDK2) INHIBITORS NOVARTIS AG (CH) 2024-08-22 WO disclosed
CN-114174292-A Substituted 2-morpholinopyridine derivatives as ATR kinase inhibitors 修复治疗公司 2022-03-11 CN disclosed
CN-113454080-A Compounds, pharmaceutical compositions and methods of making compounds and methods of use thereof 修复治疗公司 2021-09-28 CN disclosed
US-20210277002-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC. (CA) 2021-09-09 US disclosed
CN-110627796-A Nitrogenous heterocyclic derivative and application thereof in medicine 北京越之康泰生物医药科技有限公司 2019-12-31 CN disclosed
CN-106795138-A New EEDQ pyrazolyl compounds 豪夫迈·罗氏有限公司 2017-05-31 CN disclosed
CN-106604917-A Novel dihydroquinoline pyrazolyl compounds as aldosterone synthase inhibitors 豪夫迈·罗氏有限公司 2017-04-26 CN disclosed
CN-101018780-B Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors PFIZER 2012-01-11 CN disclosed
EP-1784396-B1 PYRAZOLE-SUBSTITUTED AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER (US) 2010-12-22 EP disclosed
CN-101018780-A Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMA (US) 2007-08-15 CN disclosed
US-20060128724-A1 Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. 2006-06-15 US 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 (6 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-20060128724-A1 Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors MET, MAP3K15, MAP3K19 DGAT1 4258/4885NPC1 3013/4885
US-20250026750-A1 SULFOXIMINE-CONTAINING ATR INHIBITOR COMPOUND ATR, ATRIP, FANCF DGAT1 3677/4885NPC1 4685/4885
US-20250179070-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 DGAT1 3781/4885NPC1 1796/4885
US-20260049085-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME CCR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MALT1 DGAT1 2336/4885NPC1 219/4885
US-12264155-B2 Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use as ATR kinase inhibitors ATR, CHEK2, CHEK1 DGAT1 3781/4885NPC1 1796/4885
US-20210277002-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 DGAT1 3781/4885NPC1 1796/4885

“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.