SCHEMBL6713740

SCHEMBL6713740

O=c1c2ccccc2[nH]c2nccn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
CA12 O43570 1/20 0.45
RNASEH1 O60930 1/20 0.45
ERCC1 P07992 1/20 0.45
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
CA9 Q16790 1/20 0.45
ERCC4 Q92889 1/20 0.45
PDE7A Q13946 2/20 0.44
PDE7B Q9NP56 2/20 0.44
PDE2A O00408 1/20 0.44
PDE6D O43924 1/20 0.44
PDE8A O60658 1/20 0.44
PDE5A O76074 1/20 0.44
PDE9A O76083 1/20 0.44
PDE8B O95263 1/20 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
SCHEMBL11880273 0.80 PDE7A (0.42) ALDH1A1PDE7APDE7BPDE2APDE6D
SCHEMBL10809784 0.79 FEN1 (0.54) ALDH1A1ADORA2AADORA1FEN1PDE7A
SCHEMBL3212919 0.75 ALDH1A1 (0.46) ALDH1A1PDE7APDE7BPDE2APDE6D
SCHEMBL9414983 0.73 PDE3B (0.51) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL30273088 0.73 PDE3B (0.51) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL12638629 0.73 PARP1 (0.41) PDE7APDE7BPDE2APDE6DPDE8A
SCHEMBL6429242 0.70 ALDH1A1 (0.49) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL6428774 0.68 PDE2A (0.56) PDE7APDE7BPDE2APDE6DPDE8A
SCHEMBL7276765 0.68 PARP1 (0.69) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL9880255 0.66 KDM5B (0.35) PDE7APDE7BPDE2APDE6DPDE8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040023953-A1 Tricylic mercaptomethyl-substituted 2,3-dihydro-quinazolin-5-ones and 2,3-dihydro-benzo-[1,2,4]-thiadiazin-5,5-dioxides as matrix metalloproteinase (MMP) inhibitors IBFB GMBH PRIVATES INSTITUT FUR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2004-02-05 US claimed
EP-1319010-B1 TRICYCLIC MERCAPTOMETHYL-SUBSTITUTED 2,3-DIHYDRO-QUINAZOLIN-5-ONES AND 2,3-DIHYDRO-BENZO-[1,2,4]-THIADIAZIN-5,5-DIOXIDES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS IBFB GMBH PRIVATES INST FUER B (DE) 2003-12-17 EP claimed
EP-1319010-A1 TRICYCLIC MERCAPTOMETHYL-SUBSTITUTED 2,3-DIHYDRO-QUINAZOLIN-5-ONES AND 2,3-DIHYDRO-BENZO-[1,2,4]-THIADIAZIN-5,5-DIOXIDES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS IBFB GmbH Privates Institut für biomedizinische Forschung und Beratung (DE) 2003-06-18 EP claimed
WO-2002024710-A1 TRICYCLIC MERCAPTOMETHYL-SUBSTITUTED 2,3-DIHYDRO-QUINAZOLIN-5-ONES AND 2,3-DIHYDRO-BENZO-[1,2,4]-THIADIAZIN-5,5-DIOXIDES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS IBFB GMBH PRIVATES INSTITUT FÜR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2002-03-28 WO claimed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP claimed
EP-1319010-B1 TRICYCLIC MERCAPTOMETHYL-SUBSTITUTED 2,3-DIHYDRO-QUINAZOLIN-5-ONES AND 2,3-DIHYDRO-BENZO-[1,2,4]-THIADIAZIN-5,5-DIOXIDES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS IBFB GMBH PRIVATES INST FUER B (DE) 2003-12-17 EP disclosed
WO-2003089416-A1 SUBSTITUTED PYRIMIDINE-2,4(1H,3H)-DIONES FOR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS IBFB GMBH (DE) 2003-10-30 WO disclosed
EP-1357114-A1 Substituted pyrimidin-2,4(1H,3H)-diones as inhibitors of Matrix Metalloproteinases (MMP) IBFB GmbH Privates Institut für biomedizinische Forschung und Beratung (DE) 2003-10-29 EP disclosed
EP-1319010-A1 TRICYCLIC MERCAPTOMETHYL-SUBSTITUTED 2,3-DIHYDRO-QUINAZOLIN-5-ONES AND 2,3-DIHYDRO-BENZO-[1,2,4]-THIADIAZIN-5,5-DIOXIDES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS IBFB GmbH Privates Institut für biomedizinische Forschung und Beratung (DE) 2003-06-18 EP disclosed
EP-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
WO-2002024710-A1 TRICYCLIC MERCAPTOMETHYL-SUBSTITUTED 2,3-DIHYDRO-QUINAZOLIN-5-ONES AND 2,3-DIHYDRO-BENZO-[1,2,4]-THIADIAZIN-5,5-DIOXIDES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS IBFB GMBH PRIVATES INSTITUT FÜR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2002-03-28 WO disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed
US-3984556-A Alkyl-substituted-tricyclic quinazolinones for lowering blood pressure SANDOZ, INC. (US) 1976-10-05 US disclosed
US-3982000-A Alkyl-substituted-tricyclic quinazolinones as bronchodilators SANDOZ, INC. (US) 1976-09-21 US disclosed
US-3978059-A BRONCHODILATOR AGENTS SANDOZ, INC. (US) 1976-08-31 US disclosed
US-3969506-A BRONCHODILATOR SANDOZ, INC. (US) 1976-07-13 US disclosed
US-3963720-A BRONCHODILATORS, TRANQUILLIZERS, SEDATIVEHYPNOTIC AGENTS SANDOZ, INC. (US) 1976-06-15 US disclosed
US-3905976-A Substituted tricyclic quinazolinones SANDOZ AG 1975-09-16 US disclosed
US-3887559-A Pharmacologically active tricyclic quinazolinones SANDOZ AG 1975-06-03 US disclosed
US-3875160-A Quaternary-tricyclic quinazolinones HARDTMANN GOETZ E 1975-04-01 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-20040023953-A1 Tricylic mercaptomethyl-substituted 2,3-dihydro-quinazolin-5-ones and 2,3-dihydro-benzo-[1,2,4]-thiadiazin-5,5-dioxides as matrix metalloproteinase (MMP) inhibitors TPSB2, MMP25, MMP15 ALDH1A1 356/4885ADORA3 2361/4885ADORA2A 1850/4885

“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.