SCHEMBL5794718

SCHEMBL5794718

CCCc1nc2ccccc2c(=O)[nH]1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.82
TNKS2 Q9H2K2 2/20 0.76
PDE10A Q9Y233 2/20 0.69
PARP2 Q9UGN5 1/20 0.68
KDM4C Q9H3R0 1/20 0.66
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.60
RAB9A P51151 2/20 0.59
ALDH1A1 P00352 2/20 0.57
POLB P06746 1/20 0.57
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PARP3 Q9Y6F1 2/20 0.56
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
MDM2 Q00987 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
SCHEMBL29431542 1.00 PARP1 (0.82) PARP1TNKS2PDE10APARP2KDM4C
SCHEMBL29900512 0.90 PARP1 (1.00) PARP1TNKS2PDE10APARP2KMT2A
SCHEMBL168776 0.90 PARP1 (1.00) PARP1TNKS2PDE10APARP2KMT2A
SCHEMBL16404338 0.90 PDE10A (0.84) PARP1TNKS2PDE10APARP2KMT2A
SCHEMBL1586541 0.89 PARP1 (0.91) PARP1TNKS2PDE10APARP2KMT2A
SCHEMBL30176861 0.88 PARP1 (0.89) PARP1TNKS2PDE10APARP2KMT2A
SCHEMBL22857122 0.88 PARP1 (0.89) PARP1TNKS2PDE10APARP2KMT2A
SCHEMBL30176973 0.88 PARP1 (0.89) PARP1TNKS2PDE10APARP2KMT2A
SCHEMBL14621928 0.88 PARP1 (0.89) PARP1TNKS2PDE10APARP2KMT2A
SCHEMBL28598382 0.88 PARP1 (0.89) PARP1TNKS2PDE10APARP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018003-B2 Substituted pyrimidines as matrix metalloproteinase-9 hemopexin domain inhibitors THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-06-25 US disclosed
CN-115010671-B One-step synthesis method of 2-substituted quinazolinone 江苏大学 2023-10-10 CN disclosed
CN-112174899-B Application of light-promoted Minisci C-H alkylation reaction in preparation of alkyl-substituted azacycle 南开大学 2023-01-17 CN disclosed
CN-112645887-B Preparation method of quinazolinone derivative 淮阴工学院(CN) 2023-01-13 CN disclosed
CN-115010671-A One-step synthesis method of 2-substituted quinazolinone 江苏大学 2022-09-06 CN disclosed
CN-109384731-B Method for preparing quinazolinone from enol 南京理工大学 2021-10-08 CN disclosed
CN-112645887-A Preparation method of quinazolinone derivative 淮阴工学院 2021-04-13 CN disclosed
CN-112174899-A Application of light-promoted Minisci C-H alkylation reaction in preparation of alkyl-substituted azacycle 南开大学 2021-01-05 CN disclosed
CN-107778256-B Method for synthesizing quinazolinone from anthranilamide and unsaturated aldehyde 南京理工大学 2020-06-19 CN disclosed
CN-106518789-B A method of synthesis Quinazol derivative 南京理工大学 2019-04-16 CN disclosed
US-5444042-A Administering peptide ketoamides, peptide ketoacids, and peptide ketoesters CORTEX PHARMACEUTICALS (US) 1995-08-22 US disclosed
EP-0650368-A1 USE OF CALPAIN INHIBITORS IN THE INHIBITION AND TREATMENT OF MEDICAL CONDITIONS ASSOCIATED WITH INCREASED CALPAIN ACTIVITY CORTEX PHARMACEUTICALS, INC. (US) 1995-05-03 EP disclosed
WO-1994021259-A1 QUINAZOLINONES SUBSTITUTED WITH PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1994-09-29 WO disclosed
US-5304565-A Angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-19 US disclosed
WO-1994000095-A2 USE OF CALPAIN INHIBITORS IN THE INHIBITION AND TREATMENT OF MEDICAL CONDITIONS ASSOCIATED WITH INCREASED CALPAIN ACTIVITY CORTEX PHARMACEUTICALS, INC. (US) 1994-01-06 WO disclosed
WO-1992011850-A2 USE OF CALPAIN INHIBITORS IN THE INHIBITION AND TREATMENT OF NEURODEGENERATION CORTEX PHARMACEUTICALS, INC. (US) 1992-07-23 WO disclosed
EP-0445811-A2 Nitrogen-containing heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-09-11 EP disclosed
US-4847202-A Heterocyclic inhibitors of serine proteases GEORGIA TECH RESEARCH INSTITUTE (US) 1989-07-11 US disclosed
US-4678781-A BACTERICIDAL ANTIBIOTICS ICI PHARMA (FR) 1987-07-07 US disclosed
US-4585793-A Thioester inhibitors of serine proteases GEORGIA TECH RESEARCH INSTITUTE (US) 1986-04-29 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 (1 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-12018003-B2 Substituted pyrimidines as matrix metalloproteinase-9 hemopexin domain inhibitors MMP9, MMP7, MMP11 PARP1 416/4885TNKS2 290/4885PDE10A 4085/4885

“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.