SCHEMBL319126

SCHEMBL319126

O=C(O)c1c[nH]cc(-c2ccccc2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
HNF4A P41235 1/20 0.47
KDM4E B2RXH2 2/20 0.44
PTPN1 P18031 1/20 0.44
PRKAB2 O43741 2/20 0.44
PRKAG1 P54619 2/20 0.44
PRKAA2 P54646 2/20 0.44
PRKAA1 Q13131 2/20 0.44
PRKAG3 Q9UGI9 2/20 0.44
PRKAG2 Q9UGJ0 2/20 0.44
PRKAB1 Q9Y478 2/20 0.44

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
SCHEMBL4533753 0.86 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL18256949 0.85 BCAT2 (0.56) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL363193 0.84 KDM4E (0.46) ALDH1A1KMT2AMEN1KDM4E
SCHEMBL21176862 0.84 PRKAB2 (0.48) ALDH1A1KMT2ASMN1; SMN2KDM4EPRKAB2
SCHEMBL11434922 0.83 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL27634042 0.78 ALDH1A1 (0.81) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL22210778 0.77 KMT2A (0.47) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL320357 0.77 TSHR (0.53) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL15758318 0.76 NOTUM (0.56) ALDH1A1KMT2AMEN1KDM4EALOX15
SCHEMBL10844866 0.74 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3299369-B1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2020-11-11 EP disclosed
EP-3299369-B1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2020-11-11 EP disclosed
CN-107709320-B Pyrido-nitrogen heterocyclic compound and preparation method and application thereof 中国科学院上海药物研究所 2020-11-06 CN disclosed
US-10710996-B2 Pyrido-azaheterecydic compound and preparation method and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-07-14 US disclosed
US-10710996-B2 Pyrido-azaheterecydic compound and preparation method and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-07-14 US disclosed
US-20180244667-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2018-08-30 US disclosed
EP-3299369-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2018-03-28 EP disclosed
EP-3299369-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2018-03-28 EP disclosed
CN-106279147-A A kind of pyrido nitrogen heterocyclic and its production and use 中国科学院上海药物研究所 2017-01-04 CN disclosed
WO-2016184434-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF 中国科学院上海药物研究所 2016-11-24 WO disclosed
US-20140343103-A1 PYRIDONE AMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2014-11-20 US disclosed
US-8569319-B2 Pyridone amides and analogs exhibiting anti-cancer and anti-proliferative activities Deciphera Pharmaceuticals, LLS (US) 2013-10-29 US disclosed
US-20130281451-A1 INDOLIN-2-ONE DERIVATIVES AS PROTEIN KINASE INHIBITORS Annji Pharmaceutical Co., Ltd. (TW) 2013-10-24 US disclosed
EP-2590968-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS Novartis AG (CH) 2013-05-15 EP disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
US-20120172382-A1 PYRIDONE AMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC. (US) 2012-07-05 US disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 WO disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 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 (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-20120172382-A1 PYRIDONE AMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES MKI67, TYMP, CCNA1 ALDH1A1 250/4885KMT2A 3048/4885MEN1 2454/4885
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS PIM1, GSK3A, GSK3B ALDH1A1 2437/4885KMT2A 691/4885MEN1 2862/4885
US-20130281451-A1 INDOLIN-2-ONE DERIVATIVES AS PROTEIN KINASE INHIBITORS ING2, CDK2, MAP3K20 ALDH1A1 3369/4885KMT2A 1286/4885MEN1 1573/4885
US-20180244667-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF MET, MERTK, DMPK ALDH1A1 2733/4885KMT2A 885/4885MEN1 450/4885
US-20140343103-A1 PYRIDONE AMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES MKI67, TYMP, CCNA1 ALDH1A1 250/4885KMT2A 3048/4885MEN1 2454/4885
US-10710996-B2 Pyrido-azaheterecydic compound and preparation method and use thereof MET, MERTK, DMPK ALDH1A1 2733/4885KMT2A 885/4885MEN1 450/4885

“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.