SCHEMBL4914014

SCHEMBL4914014

CCOC(=O)c1ncccc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.61
▸ ALDH1A1 P00352 4/20 0.61
▸ ALOX15 P16050 3/20 0.61
▸ L3MBTL1 Q9Y468 3/20 0.61
▸ TSHR P16473 2/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ AGER Q15109 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ BRD4 O60885 1/20 0.58
▸ HTT P42858 2/20 0.53
▸ MYC P01106 2/20 0.50
▸ GAA P10253 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ HSD17B10 Q99714 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PTPN1 P18031 1/20 0.46
▸ TDP2 O95551 1/20 0.46

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
SCHEMBL31037820 1.00 KDM4E (0.61) KDM4EALDH1A1ALOX15L3MBTL1TSHR
SCHEMBL1737254 0.90 BRD4 (0.61) ALDH1A1L3MBTL1TSHRBRD4HTT
SCHEMBL29870373 0.90 BRD4 (0.61) ALDH1A1L3MBTL1TSHRBRD4HTT
SCHEMBL16790442 0.88 ALDH1A1 (0.57) KDM4EALDH1A1ALOX15L3MBTL1TSHR
SCHEMBL7356194 0.87 ALDH1A1 (0.61) KDM4EALDH1A1ALOX15L3MBTL1TSHR
SCHEMBL14398958 0.85 HTT (0.59) ALDH1A1L3MBTL1TSHRCYP3A4NPSR1
SCHEMBL12158504 0.84 BRD4 (0.56) KDM4EALDH1A1ALOX15L3MBTL1TSHR
SCHEMBL6915977 0.83 TSHR (0.57) KDM4EALDH1A1ALOX15L3MBTL1TSHR
SCHEMBL18043964 0.83 BRD4 (0.57) KDM4EALDH1A1ALOX15L3MBTL1TSHR
SCHEMBL108857 0.81 BRD4 (0.63) KDM4EL3MBTL1TSHRCYP3A4MAPT

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109384714-A The recovery method and production method of substituted or unsubstituted 2,3- pyridinedicarboxylic acid 北京颖泰嘉和生物科技股份有限公司 2019-02-26 — — CN claimed
CN-102584698-B 2-substutied-3-quinolinic acid ethyl ester compound, preparation method and applications thereof UNIV SOUTH CHINA NORMAL 2013-10-09 — — CN claimed
CN-102584698-A 2-substutied-3-quinolinic acid ethyl ester compound, preparation method and applications thereof UNIV SOUTH CHINA NORMAL 2012-07-18 — — CN claimed
CN-118666743-A Norfloxacin is refined by the method of (2) 浙江本立科技股份有限公司 2024-09-20 — — CN disclosed
CN-109384714-A The recovery method and production method of substituted or unsubstituted 2,3- pyridinedicarboxylic acid 北京颖泰嘉和生物科技股份有限公司 2019-02-26 — — CN disclosed
EP-1858854-B1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-05-07 — — EP disclosed
US-20080269256-A1 PYRIDINE-2-CARBOXYAMIDE DERIVATIVES JAESCHKE GEORG 2008-10-30 — — US disclosed
US-7414060-B2 Pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 — — US disclosed
EP-1858854-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2007-11-28 — — EP disclosed
WO-2007117180-A1 AZAHETEROCYCLES, COMBINATORY LIBRARY, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITION AND METHODS FOR THE PRODUCTION THEREOF 'CHEMICAL DIVERSITY RESEARCH INSTITUTE' LTD. (RU) 2007-10-18 — — WO disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 — — US disclosed
WO-2006094639-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-14 — — WO disclosed
US-20060199960-A1 e.g. 6-Methyl-3-(pyridin-3-ylamino)-pyridine-2-carboxylic acid (4-methyl-thiazol-2-yl)-amide; metabotropic glutamate receptor antagonists (mGluR); central nervous system disorders, antidepressant, anxiolytc agent; psychosis, epilepsy, schizophrenia, Alzheimer's disease, cognitive disorders HOFFMANN-LA ROCHE INC. 2006-09-07 — — US disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 — — EP disclosed
US-20040097508-A1 Novel heterocyclically substituted amides, their preparation and use ABBOTT GMBH & CO. KG (DE) 2004-05-20 — — US disclosed
US-6630493-B1 Inhibitors of capain enzymes useful for the treatment of ischemias of the heart, the kidney or of central nervous system (e.g. \"stroke\"), inflammations, muscular dystrophy, cataracts of the eyes, Alzheimer's disease etc. BASF AKTIENGESELLSCHAFT (DE) 2003-10-07 — — US disclosed
EP-0267794-B1 PROCESS FOR PREPARING POLYOLEFINS Nippon Petrochemicals Co., Ltd. (JP) 1993-05-05 — — EP disclosed
EP-0267794-A2 Process for preparing polyolefins Nippon Petrochemicals Co., Ltd. (JP) 1988-05-18 — — EP disclosed
US-4525555-A TITANIUM COMPOUND SUPPORTED ON SOLID REACTION PRODUCT OF MAGNESIUM HALIDE, SILOXANES, ORGANIC COMPOUNDS NIPPON OIL COMPANY, LIMITED (JP) 1985-06-25 — — 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 (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-20040097508-A1 Novel heterocyclically substituted amides, their preparation and use CAPN1, CAPNS1, CAPN2 KDM4E 2900/4885ALDH1A1 3161/4885ALOX15 3559/4885
US-20080269256-A1 PYRIDINE-2-CARBOXYAMIDE DERIVATIVES CNR2, CNR1, CHRNA2 KDM4E 702/4885ALDH1A1 656/4885ALOX15 3964/4885
US-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 KDM4E 4108/4885ALDH1A1 1875/4885ALOX15 1950/4885
US-20060199960-A1 e.g. 6-Methyl-3-(pyridin-3-ylamino)-pyridine-2-carboxylic acid (4-methyl-thiazol-2-yl)-amide; metabotropic glutamate receptor antagonists (mGluR); central nervous system disorders, antidepressant, anxiolytc agent; psychosis, epilepsy, schizophrenia, Alzheimer's disease, cognitive disorders GRM3, GRM2, GRM1 KDM4E 965/4885ALDH1A1 2246/4885ALOX15 4101/4885

“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.

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