SCHEMBL47352

SCHEMBL47352

Cc1nc2ccccc2c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 1.00
TNKS2 Q9H2K2 4/20 1.00
KDM4E B2RXH2 5/20 0.66
ALDH1A1 P00352 3/20 0.66
MAPT P10636 2/20 0.66
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
USP2 O75604 1/20 0.66
GLA P06280 1/20 0.66
GAA P10253 1/20 0.66
HPGD P15428 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
TYMS P04818 1/20 0.62
QTRT1 Q9BXR0 1/20 0.61
TNKS O95271 2/20 0.60
IP6K1 Q92551 1/20 0.59
KMT2A Q03164 2/20 0.59
ACVR1 Q04771 1/20 0.58
MEN1 O00255 1/20 0.58
PKM P14618 1/20 0.56

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
SCHEMBL8621956 0.98 PARP1 (0.96) PARP1TNKS2KDM4EALDH1A1MAPT
SCHEMBL8621967 0.98 PARP1 (0.96) PARP1TNKS2KDM4EALDH1A1MAPT
SCHEMBL21968820 0.91 PARP1 (0.83) PARP1TNKS2KDM4EALDH1A1MAPT
SCHEMBL11546086 0.79 KDM4E (1.00) PARP1TNKS2KDM4EALDH1A1MAPT
SCHEMBL6695759 0.79 TNKS2 (0.81) PARP1TNKS2KDM4EALDH1A1MAPT
SCHEMBL29535139 0.77 KDM4E (0.66) PARP1TNKS2KDM4EALDH1A1MAPT
SCHEMBL17460813 0.77 PARP1 (0.62) PARP1TNKS2KDM4EALDH1A1MAPT
SCHEMBL30704851 0.77 PARP1 (0.62) PARP1TNKS2KDM4EALDH1A1MAPT
SCHEMBL7263029 0.77 KDM4E (0.66) PARP1TNKS2KDM4EALDH1A1MAPT
SCHEMBL5199045 0.77 TNKS2 (0.62) PARP1TNKS2KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025079090-A1 SUBSTITUTED 4-HETEROATOM-ISOQUINOLONE COMPOUNDS, PROCESS OF PREPARATION AND APPLICATIONS THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2025-04-17 WO claimed
CN-119161331-A Preparation method of degradation impurities in raltitrexed preparation 浙江皓格药业有限公司 2024-12-20 CN claimed
CN-118090990-A Preparation method of stable isotope labeled hypnone internal standard reagent 谱同生物医药科技(常州)有限公司 2024-05-28 CN claimed
CN-117903125-A Preparation method of raltitrexed 无锡紫杉药业股份有限公司 2024-04-19 CN claimed
CN-117327060-A Preparation method of intermediate impurity of raltitrexed 无锡紫杉药业股份有限公司 2024-01-02 CN claimed
CN-116510024-A Composition, preparation method and application thereof 上海复东生物医药有限责任公司 2023-08-01 CN claimed
CN-111363027-B Hypnone antigen and preparation method thereof 杭州隆基生物技术有限公司 2022-02-22 CN claimed
EP-3542801-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2019-09-25 EP claimed
CN-106045922-A 2-(Amino) methylquinazolin-4(3H)-one compound and preparation method and application thereof 湘潭大学 2016-10-26 CN claimed
US-20160136180-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-05-19 US claimed
WO-2009024542-A2 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-26 WO claimed
EP-1641799-B1 IMIDAZO-PYRIDAZINONE DERIVATIVES AND IMIDAZO-PYRIDONE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-03-12 EP claimed
EP-1761540-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2007-03-14 EP claimed
WO-2005113556-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2005-12-01 WO claimed
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-03 US claimed
US-6121452-A REACTING A NITROGEN-CONTAINING HETEROCYCLIC COMPOUND WITH AN AROMATIC DICARBOXYLIC ACID OR AN ANHYDRIDE THEREOF IN AN ORGANIC SOLVENT IN THE PRESENCE OF AN UNSUBSTITUTED PHENOL OR NAPHTHOL OR MIXTURE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2000-09-19 US claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
US-5874444-A CONTROLLING CELL AGING GERON CORPORATION (US) 1999-02-23 US claimed
US-5830909-A DIETETICS AMERICAN CYANAMID COMPANY (US) 1998-11-03 US claimed
US-5342950-A Reacting a methyl-substituted heterocyclic compound with an anhydride of an aromatic dicarboxylic acid in an alkyl benzoate solvent BASF AKTIENGESELLSCHAFT (DE) 1994-08-30 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 (2 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-20160136180-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES PNP, ENTPD5, NUDT14 PARP1 159/4885TNKS2 272/4885KDM4E 3292/4885
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 PARP1 2203/4885TNKS2 2602/4885KDM4E 178/4885

“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.