SCHEMBL1748346

SCHEMBL1748346

O=[N+]([O-])c1ccc2nc(-c3ccc4c(c3)OCCO4)ncc2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.54
MAOB P27338 3/20 0.54
CYP1A2 P05177 1/20 0.51
MAPT P10636 6/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
METAP2 P50579 2/20 0.45
TERT O14746 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL1747920 0.93 MAOA (0.54) MAOAMAOBCYP1A2MAPTALDH1A1
SCHEMBL1749129 0.87 CYP1A2 (0.48) MAOAMAOBCYP1A2MAPTALDH1A1
SCHEMBL1749128 0.79 MAOA (0.60) MAOAMAOBMAPTALDH1A1HTT
SCHEMBL26674977 0.78 CYP1A2 (0.48) CYP1A2MAPTALDH1A1MEN1KMT2A
SCHEMBL7603316 0.77 CYP1A2 (0.54) CYP1A2MAPTALDH1A1MEN1KMT2A
SCHEMBL1304848 0.77 MAOA (0.57) MAOAMAOBCYP1A2MAPTALDH1A1
SCHEMBL3204572 0.77 CYP1A2 (0.68) CYP1A2MAPTALDH1A1MEN1KMT2A
SCHEMBL1748011 0.76 MAOA (0.54) MAOAMAOBCYP1A2MAPTALDH1A1
SCHEMBL30665998 0.74 MAPT (0.60) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL1169369 0.74 MAPT (0.60) MAPTALDH1A1MEN1KMT2AHTT

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
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-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-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-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-7994181-B2 6-1H-imidazo-quinazoline and quinolines derivatives, new potent analgesics and anti-inflammatory agents ROTTAPHARM S.P.A. (IT) 2011-08-09 US disclosed
US-7994181-B2 6-1H-imidazo-quinazoline and quinolines derivatives, new potent analgesics and anti-inflammatory agents ROTTAPHARM S.P.A. (IT) 2011-08-09 US disclosed
US-7994181-B2 6-1H-imidazo-quinazoline and quinolines derivatives, new potent analgesics and anti-inflammatory agents ROTTAPHARM S.P.A. (IT) 2011-08-09 US disclosed
EP-2057148-B1 AMIDINE DERIVATIVES OF 2-HETEROARYL-QUINAZOLINES AND QUINOLINES; POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM SPA (IT) 2009-12-30 EP disclosed
EP-2057148-B1 AMIDINE DERIVATIVES OF 2-HETEROARYL-QUINAZOLINES AND QUINOLINES; POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM SPA (IT) 2009-12-30 EP 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
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-20090227609-A1 AMIDINE DERIVATIVES OF 2-HETEROARYL-QUINAZOLINES AND QUINOLINES; POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM S.P.A. (IT) 2009-09-10 US disclosed
US-20090227609-A1 AMIDINE DERIVATIVES OF 2-HETEROARYL-QUINAZOLINES AND QUINOLINES; POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM S.P.A. (IT) 2009-09-10 US disclosed
US-20090227609-A1 AMIDINE DERIVATIVES OF 2-HETEROARYL-QUINAZOLINES AND QUINOLINES; POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM S.P.A. (IT) 2009-09-10 US disclosed
WO-2008014815-A1 AMIDINE DERIVATIVES OF 2-HETEROARYL-QUINAZOLINES AND QUINOLINES; POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM S.P.A. (IT) 2008-02-07 WO 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 3506/4885CYP1A2 62/4885
US-20090227609-A1 AMIDINE DERIVATIVES OF 2-HETEROARYL-QUINAZOLINES AND QUINOLINES; POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS NOS2, NOS3, NOS1 MAOA 455/4885MAOB 414/4885CYP1A2 28/4885
US-20110257209-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS IL1A, IL6, IL1B MAOA 3149/4885MAOB 3479/4885CYP1A2 61/4885

“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.