SCHEMBL577644

SCHEMBL577644

[C]1CCCc2cccnc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ADRA2A P08913 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
AVPR2 P30518 1/20 0.31
OXTR P30559 1/20 0.31
AVPR1A P37288 1/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL577643 1.00 TSHR (0.36) TSHRADRA2AADRA1DADRA1AADRA1B
SCHEMBL6399596 0.88
SCHEMBL1450556 0.69 TSHR (0.33) TSHRDRD2DRD3
SCHEMBL577648 0.68 CYP19A1 (0.33)
SCHEMBL37725 0.68 CYP19A1 (0.33)
SCHEMBL4912110 0.67 TSHR (0.43) TSHRADRA2AADRA1AL3MBTL1DRD2
SCHEMBL2537276 0.67 HRH1 (0.36) TSHRADRA1ADRD2
SCHEMBL3884 0.66 TSHR (0.48) TSHRL3MBTL1
SCHEMBL29395766 0.66
SCHEMBL149347 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US claimed
EP-3294729-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 EP claimed
WO-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO claimed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US claimed
EP-1951046-A2 METHODS TO ENHANCE CHEMOTHERAPY Genzyme Corporation (US) 2008-08-06 EP claimed
WO-2007022523-A2 METHODS TO ENHANCE CHEMOTHERAPY GENZYME CORPORATION (US) 2007-02-22 WO claimed
US-20070043012-A1 Methods to enhance chemotherapy GENZYME CORPORATION 2007-02-22 US claimed
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors MIKOSHIBA, KATSUHIKO (JP) 2004-12-23 US claimed
EP-1444981-A1 INTRACELLULAR CALCIUM CONCENTRATION INCREASE INHIBITORS Mikoshiba, Katsuhiko (JP) 2004-08-11 EP claimed
WO-2024129931-A1 ALPHA-V BETA-6(ανβ6) INTEGRIN LIGANDS FOR EXTRAHEPATIC DELIVERY ALNYLAM PHARMACEUTICALS, INC. (US) 2024-06-20 WO disclosed
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-02-23 US disclosed
US-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2022-12-29 US disclosed
CN-113490663-A Pyridazine (thio) amides as fungicidal compounds 拜耳公司 2021-10-08 CN disclosed
EP-3887362-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS Bayer Aktiengesellschaft (DE) 2021-10-06 EP disclosed
US-20030220341-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED, INC. (CA) 2003-11-27 US disclosed
WO-2003055876-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2003-07-10 WO disclosed
EP-1070052-A1 FUNGICIDE COMPOSITIONS COMPRISING A HYDROXIMIC OR HYDRAZONIC GROUP AVENTIS CROPSCIENCE S.A. (FR) 2001-01-24 EP disclosed
WO-1999051579-A1 FUNGICIDE COMPOSITIONS COMPRISING A HYDROXIMIC OR HYDRAZONIC GROUP AVENTIS CROPSCIENCE S.A. (FR) 1999-10-14 WO disclosed
EP-0314852-B1 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA GEIGY AG (CH) 1993-11-18 EP disclosed
US-4921955-A Process for the synthesis of 1-substituted imidazole-5-carboxylic acids and carboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1990-05-01 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 (7 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 TSHR 2155/4885ADRA2A 4778/4885ADRA1D 4511/4885
US-20030220341-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 TSHR 1370/4885ADRA2A 1950/4885ADRA1D 1765/4885
US-20070043012-A1 Methods to enhance chemotherapy CXCR4, MCL1, CXCL12 TSHR 1330/4885ADRA2A 647/4885ADRA1D 1697/4885
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors CAB39, BPGM, ORAI1 TSHR 3019/4885ADRA2A 890/4885ADRA1D 385/4885
US-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 TSHR 1370/4885ADRA2A 1950/4885ADRA1D 1765/4885
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS PNPO, TPMT, BLVRB TSHR 1426/4885ADRA2A 3354/4885ADRA1D 4505/4885
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 TSHR 4313/4885ADRA2A 3890/4885ADRA1D 4128/4885

“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.