Sugi Predict

Sugi Predict / Compounds / SCHEMBL1116477

SCHEMBL1116477

SCHEMBL1116477

CNc1ccc2occc2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 5/20 0.49
▸ DYRK1A Q13627 5/20 0.47
▸ CYP2A6 P11509 2/20 0.46
▸ CA12 O43570 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CDK9 P50750 1/20 0.42
▸ EPM2A O95278 1/20 0.41
▸ PTPRC P08575 1/20 0.41
▸ PTPN6 P29350 1/20 0.41
▸ CDC14A Q9UNH5 1/20 0.41
▸ PTPN22 Q9Y2R2 1/20 0.41
▸ CNR1 P21554 1/20 0.39
▸ CTNNB1 P35222 1/20 0.39
▸ WNT3A P56704 1/20 0.39
▸ PRKD1 Q15139 1/20 0.39
▸ EGFR P00533 1/20 0.38

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
SCHEMBL17361703 0.83 HTR1B (0.49) HTR1BDYRK1ACYP2A6EGFR
SCHEMBL13153074 0.79 CYP2A6 (0.46) HTR1BDYRK1ACYP2A6CDK9EPM2A
SCHEMBL11355784 0.79 DYRK1A (0.46) HTR1BDYRK1ACYP2A6CA2CDK9
SCHEMBL24783507 0.79 CYP2A6 (0.46) HTR1BDYRK1ACYP2A6CA12CA2
SCHEMBL6001072 0.79 CYP2A6 (0.46) HTR1BDYRK1ACYP2A6CA12CA2
SCHEMBL10240011 0.79 HTR1B (0.46) HTR1BDYRK1ACYP2A6CA12CA2
SCHEMBL20419335 0.79 HTR1B (0.49) HTR1BDYRK1ACYP2A6CA12CA2
SCHEMBL23055230 0.79 CYP2A6 (0.42) HTR1BDYRK1ACYP2A6CA12CA2
Hydrochloric Acid SCHEMBL7556243 0.78 DYRK1A (0.44) HTR1BDYRK1ACYP2A6CA2CDK9
SCHEMBL11539598 0.77 CNR1 (0.54) HTR1BDYRK1ACYP2A6EPM2APTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360142-A1 Multitargeting Agents For The Potential Treatment of Dementia With Lewy Bodies, Parkinson's Disease, and Alzheimer Disease With Lewy Bodies DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2024-10-31 — — US disclosed
CN-117466803-A Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2024-01-30 — — CN disclosed
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2023-10-26 — — US disclosed
US-20230303510-A1 CYCLIZED ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. 2023-09-28 — — US disclosed
US-20230303510-A1 CYCLIZED ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. 2023-09-28 — — US disclosed
US-20230303510-A1 CYCLIZED ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. 2023-09-28 — — US disclosed
CN-111132976-B Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2023-08-22 — — CN disclosed
CN-111909083-B Inhibitors of histone demethylase 赛尔基因昆蒂赛尔研究公司 2023-08-15 — — CN disclosed
EP-4188918-A1 CYCLIZED ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2023-06-07 — — EP disclosed
WO-2022026565-A9 CYCLIZED ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2022-12-08 — — WO disclosed
WO-2015200709-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2015-12-30 — — WO disclosed
US-8957069-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 — — US disclosed
WO-2013006408-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-10 — — WO disclosed
US-20110124578-A1 AMINO ACID INHIBITORS OF CYTOCHROME P450 SEQUOIA PHARMACEUTICALS INC. (US) 2011-05-26 — — US disclosed
EP-2314598-A1 Inhibitors of Hepatitis C virus NS3 serine protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-27 — — EP disclosed
EP-2280601-A2 AMINO ACID INHIBITORS OF CYTOCHROME P450 Sequoia Pharmaceuticals, Inc. (US) 2011-02-09 — — EP disclosed
WO-2009105774-A2 AMINO ACID INHIBITORS OF CYTOCHROME P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2009-08-27 — — WO disclosed
WO-2008039882-A1 A COMBINATION OF NIACIN AND A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST SANOFI-AVENTIS U.S. LLC (US) 2008-04-03 — — WO disclosed
EP-1891019-A2 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2008-02-27 — — EP disclosed
WO-2006044732-A2 2, 6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 — — 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-20110124578-A1 AMINO ACID INHIBITORS OF CYTOCHROME P450 CYP3A43, CYP7A1, CYP3A5 HTR1B 1254/4885DYRK1A 2762/4885CYP2A6 17/4885
US-20230303510-A1 CYCLIZED ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS POLQ, POLB, POLH HTR1B 4671/4885DYRK1A 4086/4885CYP2A6 1565/4885
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 IKZF1, IKZF3, IKZF2 HTR1B 4647/4885DYRK1A 2556/4885CYP2A6 3746/4885
US-20240360142-A1 Multitargeting Agents For The Potential Treatment of Dementia With Lewy Bodies, Parkinson's Disease, and Alzheimer Disease With Lewy Bodies PARK7, SNCA, GRN HTR1B 2805/4885DYRK1A 256/4885CYP2A6 3704/4885

“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.