Sugi Predict

Sugi Predict / Compounds / SCHEMBL843559

SCHEMBL843559

SCHEMBL843559

Cc1ccnc(C)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ TSHR P16473 4/20 0.47
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ PAX8 Q06710 1/20 0.36

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
SCHEMBL30197316 1.00 ALDH1A1 (0.54) ALDH1A1TDP1TSHRKMT2AMEN1
Ammonia Solution, Strong SCHEMBL27851817 0.98 ALDH1A1 (0.52) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL29033667 0.91 ALDH1A1 (0.46) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL2972185 0.80 ALDH1A1 (0.44) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL541578 0.80 ALDH1A1 (0.50) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL5126783 0.80 PKM (0.42) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL801243 0.80 ALDH1A1 (0.50) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL18032590 0.80 ALDH1A1 (0.41) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL2596737 0.80 ALDH1A1 (0.41) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL31481292 0.80 GPR35 (0.44) ALDH1A1TDP1TSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025111547-A1 2,3-DIHYDROPYROLLOPYRIDINE CARBOXAMIDE COMPOUNDS AND METHODS OF USE THEREOF RGENTA THERAPEUTICS, INC. (US) 2025-05-30 — — WO disclosed
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-05-18 — — US disclosed
US-20230144095-A1 PYRIDINE DERIVATIVES AND THEIR USE AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-05-11 — — US disclosed
CN-115636781-A Synthesis method of 2, 4-dimethyl-5-aminopyridine 山西永津集团有限公司 2023-01-24 — — CN disclosed
CN-112574199-B Heterocyclic compounds as Kras-G12C inhibitors 首药控股(北京)股份有限公司 2021-05-18 — — CN disclosed
CN-112574199-A Heterocyclic compounds as Kras-G12C inhibitors 首药控股(北京)股份有限公司 2021-03-30 — — CN disclosed
CN-105793254-B Azaquinazoline carboxamide derivatives 默克专利有限公司 2020-10-23 — — CN disclosed
EP-2925747-B1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2020-06-24 — — EP disclosed
CN-110088102-A A kind of nitrogen-containing hetero cyclics, preparation method, pharmaceutical composition and application 罗欣药业(上海)有限公司 2019-08-02 — — CN disclosed
US-10233160-B2 Substituted pyrido[3,4-d]pyrimidines and pyrido[4,3-d]pyrimidines as p70S6K inhibitors MERCK PATENT GMBH (DE) 2019-03-19 — — US disclosed
WO-1998051670-A1 PROCESS FOR THE SYNTHESIS OF RIBONUCLEOTIDE REDUCTASE INHIBITORS 3-AP AND 3-AMP VION PHARMACEUTICALS, INC. (US) 1998-11-19 — — WO disclosed
US-5721259-A Method of using 2-formylpyridine thiosemicarbazone compounds YALE UNIVERSITY (US) 1998-02-24 — — US disclosed
US-5693810-A ENZYME INHIBITORS OF TESTOSTERONE-5ALPHA-REDUCTASE TO PREVENT OR LESSEN SYMPTOMS OF DIHYDROTESTOSTERONE-RELATED HYPERANDROGENIC CONDITIONS, E.G. PROSTATE PROBLEMS, SKIN DISORDERS MERCK & CO., INC. (US) 1997-12-02 — — US disclosed
EP-0570294-B1 2-Formylpyridine thiosemicarbazone derivatives, their preparation and their use as antitumor agents UNIV YALE (US) 1997-07-30 — — EP disclosed
US-5281715-A 2-formylpyridine thiosemicarbazone compounds YALE UNIVERSITY (US) 1994-01-25 — — US disclosed
EP-0570294-A1 2-Formylpyridine thiosemicarbazone derivatives, their preparation and their use as antitumor agents YALE UNIVERSITY (US) 1993-11-18 — — EP disclosed
CN-1077955-A Hete rocyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1993-11-03 — — CN disclosed
EP-0400974-A2 Substituted imidazo-fused 6-membered heterocycles as angiotensin II antagonists MERCK & CO. INC. (US) 1990-12-05 — — EP disclosed
CN-1032439-A A kind of preparation method of platelet-activating factor antagonist PFIZER LTD (GB) 1989-04-19 — — CN disclosed
CN-86107899-A The novel basic substituted pyridine compound, preparation method, contained drug and application thereof — 1987-07-29 — — CN 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 (3 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-20230144095-A1 PYRIDINE DERIVATIVES AND THEIR USE AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN1B, CACNA1A ALDH1A1 1317/4885TDP1 1458/4885TSHR 1944/4885
US-10233160-B2 Substituted pyrido[3,4-d]pyrimidines and pyrido[4,3-d]pyrimidines as p70S6K inhibitors CDK4, CDK2, RPS6KA4 ALDH1A1 3625/4885TDP1 1443/4885TSHR 2592/4885
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1B, SCN1A, SCN2B ALDH1A1 1828/4885TDP1 1890/4885TSHR 1204/4885

“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.