SCHEMBL168776

SCHEMBL168776

CCCCc1nc2ccccc2c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 1.00
TNKS2 Q9H2K2 1/20 0.71
PDE10A Q9Y233 2/20 0.66
PARP2 Q9UGN5 2/20 0.64
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.57
HTR1A P08908 2/20 0.56
HTR7 P34969 2/20 0.56
RAB9A P51151 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
SCHEMBL29900512 1.00 PARP1 (1.00) PARP1TNKS2PDE10APARP2KMT2A
SCHEMBL1586541 0.95 PARP1 (0.91) PARP1TNKS2PDE10APARP2KMT2A
SCHEMBL28598382 0.94 PARP1 (0.89) PARP1TNKS2PDE10APARP2KMT2A
SCHEMBL22857122 0.94 PARP1 (0.89) PARP1TNKS2PDE10APARP2KMT2A
SCHEMBL30176861 0.94 PARP1 (0.89) PARP1TNKS2PDE10APARP2KMT2A
SCHEMBL30176973 0.94 PARP1 (0.89) PARP1TNKS2PDE10APARP2KMT2A
SCHEMBL14621928 0.94 PARP1 (0.89) PARP1TNKS2PDE10APARP2KMT2A
SCHEMBL5794718 0.90 PARP1 (0.82) PARP1TNKS2PDE10APARP2KMT2A
SCHEMBL29431542 0.90 PARP1 (0.82) PARP1TNKS2PDE10APARP2KMT2A
SCHEMBL16404338 0.87 PDE10A (0.84) 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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-109384731-A A method of quinazolinone is prepared by enol 南京理工大学 2019-02-26 CN disclosed
CN-103228141-B Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-20 CN disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-6004979-A ANGIOTENSIN II INHIBITORS; 4-((CARBOXY)ARYLOXY)-QUINOLINE DERIVATIVES HOECHST MARION ROUSSEL (FR) 1999-12-21 US disclosed
US-5817674-A ANTIOTENSIN II RECEPTOR ANTAGONISTS ROUSSEL UCLAF (FR) 1998-10-06 US disclosed
US-5350752-A Dihydropyrimidine derivatives E. R. SQUIBB & SONS, INC. (US) 1994-09-27 US disclosed
US-5234923-A SUBSTITUTE INDOLE AND BENZIMIDAZOLE DERIVATIVES E. R. SQUIBB & SONS, INC. (US) 1993-08-10 US disclosed
EP-0547442-A1 Dihydropyrimidin derivatives used as A-II receptor antagonists E.R. SQUIBB & SONS, INC. (US) 1993-06-23 EP disclosed
EP-0547827-A1 Indole and benzimidazole-substituted dihydropyrimidine derivatives useful as A-II receptors antagonists E.R. SQUIBB & SONS, INC. (US) 1993-06-23 EP disclosed
EP-0547556-A1 Substituted indole and benzimidazole derivatives useful as A-II receptors antagonists E.R. SQUIBB & SONS, INC. (US) 1993-06-23 EP disclosed
US-5212177-A INDOLE AND BENZIMIDAZOLE-SUBSTITUTED DIHYDROPYRIMIDINE DERIVATIVES E. R. SQUIBB & SONS, INC. (US) 1993-05-18 US disclosed
EP-0498723-A1 Nitrogen containing bicycle compounds, method for their preparation, their use as pharmaceutical and compositions containing them ROUSSEL UCLAF (FR) 1992-08-12 EP disclosed
EP-0407342-A2 Pyrimidine derivatives CIBA-GEIGY AG (CH) 1991-01-09 EP 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-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES DHPS, FDPS, DPYD PARP1 2030/4885TNKS2 3993/4885PDE10A 3080/4885

“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.