SCHEMBL1749129

SCHEMBL1749129

O=[N+]([O-])c1ccc2nc(-c3ccc4c(c3)CCO4)ncc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
DYRK1A Q13627 2/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 4/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 2/20 0.39
ERN1 O75460 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
PLA2G10 O15496 1/20 0.38

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
SCHEMBL26674977 0.91 CYP1A2 (0.48) CYP1A2DYRK1AHDAC3HDAC1HDAC2
SCHEMBL1748346 0.87 MAOA (0.54) CYP1A2MAOAMAOBMAPTRAB9A
SCHEMBL1747920 0.83 MAOA (0.54) CYP1A2MAOAMAOBMAPTRAB9A
SCHEMBL1748372 0.80 DYRK1A (0.52) MAOAMAOBDYRK1AHDAC3HDAC1
SCHEMBL1633977 0.76 ADRA2A (0.46) DYRK1AHDAC3HDAC1HDAC2HDAC8
SCHEMBL29525659 0.76 ADRA2A (0.46) DYRK1AHDAC3HDAC1HDAC2HDAC8
SCHEMBL7603316 0.74 CYP1A2 (0.54) CYP1A2MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3204572 0.74 CYP1A2 (0.68) CYP1A2MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1748011 0.74 MAOA (0.54) CYP1A2MAOAMAOBDYRK1AMAPT
SCHEMBL1748776 0.73 MAOA (0.42) MAOAMAOBDYRK1AHDAC3HDAC1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968558-B2 Amidine derivatives of 2-heteroaryl-quinazolines and quinolines; potent analgesics and anti-inflammatory agents ROTTAPHARM S.P.A. (IT) 2011-06-28 US disclosed
US-7968558-B2 Amidine derivatives of 2-heteroaryl-quinazolines and quinolines; potent analgesics and anti-inflammatory agents ROTTAPHARM S.P.A. (IT) 2011-06-28 US disclosed
US-7968558-B2 Amidine derivatives of 2-heteroaryl-quinazolines and quinolines; potent analgesics and anti-inflammatory agents ROTTAPHARM S.P.A. (IT) 2011-06-28 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-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
EP-2057148-A1 AMIDINE DERIVATIVES OF 2-HETEROARYL-QUINAZOLINES AND QUINOLINES; POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS Rottapharm S.p.A. (IT) 2009-05-13 EP 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-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

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-20090227609-A1 AMIDINE DERIVATIVES OF 2-HETEROARYL-QUINAZOLINES AND QUINOLINES; POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS NOS2, NOS3, NOS1 CYP1A2 28/4885MAOA 455/4885MAOB 414/4885

“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.