SCHEMBL256379

SCHEMBL256379

Cn1ccc2cccnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
MTNR1A P48039 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CYP2C19 P33261 1/20 0.46
CDC7 O00311 1/20 0.46
CDK2 P24941 1/20 0.46
RAPGEF4 Q8WZA2 1/20 0.44
SLC22A12 Q96S37 6/20 0.44
PKM P14618 1/20 0.42
DYRK1A Q13627 1/20 0.41
DAO P14920 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
FEN1 P39748 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MMP2 P08253 1/20 0.39

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
SCHEMBL29845529 1.00 PARP1 (0.50) PARP1MTNR1AL3MBTL1CYP2C19CDC7
Bromide SCHEMBL28427695 0.98 PARP1 (0.49) PARP1MTNR1AL3MBTL1CYP2C19CDC7
SCHEMBL5437233 0.83 AXL (0.64) PARP1MTNR1AL3MBTL1CYP2C19CDC7
Ethoxycarbonyl Group SCHEMBL27447078 0.81 MTNR1A (0.42) PARP1MTNR1AL3MBTL1CYP2C19CDC7
SCHEMBL29816478 0.79 PIK3CB (0.34) PARP1MTNR1AL3MBTL1CYP2C19CDC7
SCHEMBL17827484 0.79 DYRK1A (0.40) PARP1MTNR1AL3MBTL1CYP2C19CDC7
SCHEMBL7771626 0.75 MTNR1A (0.60) PARP1MTNR1AL3MBTL1CYP2C19CDC7
SCHEMBL14236833 0.74 PARP1 (0.50) PARP1MTNR1AL3MBTL1CYP2C19CDC7
SCHEMBL12629045 0.74 PARP1 (0.55) PARP1MTNR1AL3MBTL1CYP2C19CDC7
SCHEMBL12146970 0.74 PARP1 (0.50) PARP1MTNR1AL3MBTL1CYP2C19CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115463131-B Application of combination or complex of pyridine chalone or derivative and trans-platinum compound in preparation of medicines for treating cancers 中国科学院化学研究所 2024-07-23 CN claimed
WO-2024104425-A1 KRAS INHIBITOR COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 广东东阳光药业股份有限公司 2024-05-23 WO claimed
CN-116969967-A Synthesis method of polysubstituted-5, 10-dihydro [1,2,3,4] tetrathio [5,6-b:7,8-b' ] diindole and derivative 衡阳师范学院 2023-10-31 CN claimed
CN-116854619-A 3-indolenone compound and synthesis method thereof 西安工程大学 2023-10-10 CN claimed
CN-116813639-A Synthesis method of polysubstituted [1,2,3,4,5] pentathio [6,7-b ] indole and derivative 衡阳师范学院 2023-09-29 CN claimed
WO-2022258012-A1 APPLICATION OF COMBINATION OR COMPLEX OF PYRIDOSTATIN OR DERIVATIVE THEREOF AND TRANSPLATIN COMPOUND IN PREPARATION OF DRUG FOR TREATING CANCER 中国科学院化学研究所 2022-12-15 WO claimed
CN-115463131-A Application of combination or complex of pyridistatin or derivative thereof and trans-platinum compound in preparation of medicine for treating cancer 中国科学院化学研究所 2022-12-13 CN claimed
US-11028070-B2 Isoindoline or isoquinoline compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2021-06-08 US claimed
US-20200262816-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2020-08-20 US claimed
CN-111499566-A Pyridine derivative compound and preparation method thereof 南京工业大学 2020-08-07 CN claimed
US-20160194304-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2016-07-07 US claimed
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 US claimed
CN-104788359-A Synthesis method of copper-promoted 3-cyano-substituted-indole compound UNIV HUNAN 2015-07-22 CN claimed
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US claimed
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-01-02 US claimed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US claimed
EP-2438063-A1 1H-IMIDAZO[4,5-C]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-04-11 EP claimed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US claimed
WO-2010139747-A1 1H-IMIDAZO[4, 5-c]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2010-12-09 WO claimed
US-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2010-12-09 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS PRKCA, ABL1, MYLK2 PARP1 2630/4885MTNR1A 1617/4885L3MBTL1 2570/4885
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH FAAH, FAAH2, IDO1 PARP1 1155/4885MTNR1A 44/4885L3MBTL1 4029/4885
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 PARP1 1560/4885MTNR1A 2011/4885L3MBTL1 3267/4885
US-20200262816-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, RECQL, CASP7 PARP1 239/4885MTNR1A 1370/4885L3MBTL1 2157/4885
US-20160194304-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RECQL, UQCRB, IRF3 PARP1 318/4885MTNR1A 2943/4885L3MBTL1 2206/4885
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 PARP1 2798/4885MTNR1A 1671/4885L3MBTL1 2657/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 PARP1 2798/4885MTNR1A 1671/4885L3MBTL1 2657/4885
US-11028070-B2 Isoindoline or isoquinoline compounds, a process for their preparation and pharmaceutical compositions containing them BAX, RECQL, CASP7 PARP1 239/4885MTNR1A 1370/4885L3MBTL1 2157/4885

“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.