SCHEMBL727683

SCHEMBL727683

c1cn(-c2ccc3nc(-c4ccc5c(c4)OCO5)ccc3c2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 12/20 1.00
MAOB P27338 12/20 1.00
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.56
USP2 O75604 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C19 P33261 2/20 0.56
CLK4 Q9HAZ1 2/20 0.56
ALOX15 P16050 1/20 0.56
CASP7 P55210 1/20 0.56
HSD17B10 Q99714 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55

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
Hydrochloric Acid SCHEMBL1905089 0.99 MAOA (0.98) MAOAMAOBALDH1A1LMNAUSP2
SCHEMBL2241251 0.84 MAOA (0.72) MAOAMAOBNPC1RAB9AMAPT
SCHEMBL1896823 0.82 MAOA (1.00) MAOAMAOBALDH1A1LMNAUSP2
SCHEMBL2241677 0.82 MAOA (0.69) MAOAMAOBNPC1RAB9ACASP3
SCHEMBL2538588 0.80 MAOA (0.72) MAOAMAOBALDH1A1LMNAALOX15
SCHEMBL27834828 0.80 MAOA (0.64) MAOAMAOBALDH1A1LMNAUSP2
SCHEMBL14291319 0.79 MAOA (0.70) MAOAMAOBNPC1RAB9ACASP3
SCHEMBL2242637 0.79 MAOA (0.77) MAOAMAOBNPC1RAB9ACASP3
SCHEMBL729381 0.78 MAOA (1.00) MAOAMAOBNPC1RAB9ACASP3
SCHEMBL1903721 0.78 MAOA (1.00) MAOAMAOBCYP3A4ALOX15NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633208-B2 6-1H-imidazo-quinazoline and quinolines derivatives, new MAO inhibitors and imidazoline receptor ligands ROTTAPHARM S.P.A (IT) 2014-01-21 US claimed
EP-2315588-B1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS ROTTAPHARM SPA (IT) 2012-12-19 EP claimed
JP-2011524383-A 2011-09-01 JP claimed
US-20110118289-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS ROTTAPHARM S.P.A. (IT) 2011-05-19 US claimed
EP-2315588-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS Rottapharm S.p.A. (IT) 2011-05-04 EP claimed
WO-2009152868-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS ROTTAPHARM S.P.A. (IT) 2009-12-23 WO claimed
US-8633208-B2 6-1H-imidazo-quinazoline and quinolines derivatives, new MAO inhibitors and imidazoline receptor ligands ROTTAPHARM S.P.A (IT) 2014-01-21 US disclosed
US-8633208-B2 6-1H-imidazo-quinazoline and quinolines derivatives, new MAO inhibitors and imidazoline receptor ligands ROTTAPHARM S.P.A (IT) 2014-01-21 US disclosed
US-8633208-B2 6-1H-imidazo-quinazoline and quinolines derivatives, new MAO inhibitors and imidazoline receptor ligands ROTTAPHARM S.P.A (IT) 2014-01-21 US disclosed
EP-2066653-B1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM SPA (IT) 2012-09-12 EP disclosed
US-8193353-B2 6-1H-imidazo-quinazoline and quinolines derivatives, new potent analgesics and anti-inflammatory agents ROTTAPHARM S.P.A (IT) 2012-06-05 US disclosed
US-8193353-B2 6-1H-imidazo-quinazoline and quinolines derivatives, new potent analgesics and anti-inflammatory agents ROTTAPHARM S.P.A (IT) 2012-06-05 US disclosed
US-20110257209-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM S.P.A (IT) 2011-10-20 US disclosed
US-20110118289-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS ROTTAPHARM S.P.A. (IT) 2011-05-19 US disclosed
US-20110118289-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS ROTTAPHARM S.P.A. (IT) 2011-05-19 US disclosed
US-20110118289-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS ROTTAPHARM S.P.A. (IT) 2011-05-19 US disclosed
WO-2009152868-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS ROTTAPHARM S.P.A. (IT) 2009-12-23 WO disclosed
US-20090264451-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM S.P.A. (IT) 2009-10-22 US disclosed
US-20090264451-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM S.P.A. (IT) 2009-10-22 US disclosed
WO-2008014822-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM S.P.A. (IT) 2008-02-07 WO 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 (3 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-20090264451-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS IL1A, IL6, IL1B MAOA 3094/4885MAOB 3506/4885ALDH1A1 713/4885
US-20110118289-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS OPRM1, OPRD1, HTR3C MAOA 8/4885MAOB 10/4885ALDH1A1 285/4885
US-20110257209-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS IL1A, IL6, IL1B MAOA 3149/4885MAOB 3479/4885ALDH1A1 751/4885

“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.