SCHEMBL728246

SCHEMBL728246

COc1ccc(-c2ncc3cc(-n4ccnc4C)ccc3n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.74
MAOB P27338 9/20 0.74
LCK P06239 2/20 0.47
KIT P10721 2/20 0.47
SRC P12931 2/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADH5 P11766 2/20 0.42
PIK3CA P42336 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 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
SCHEMBL728003 0.85 MAOA (1.00) MAOAMAOBALDH1A1CYP3A4CYP2D6
SCHEMBL727724 0.82 MAOA (0.63) MAOAMAOBLCKKITSRC
Hydrochloric Acid SCHEMBL1898447 0.81 MAOA (0.61) MAOAMAOBLCKKITSRC
SCHEMBL2241505 0.79 MAOA (0.72) MAOAMAOBCYP19A1
SCHEMBL2533155 0.78 MAOA (0.66) MAOAMAOBKDM4EMEN1ALDH1A1
SCHEMBL727784 0.77 MAOA (1.00) MAOAMAOBLCKKITSRC
SCHEMBL10902105 0.76 CYP3A4 (0.66) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL2241508 0.74 EGFR (0.56) MAOAMAOBLCKKITSRC
SCHEMBL2242759 0.71 MAPK10 (0.54) MAOAMAOBKDM4EALDH1A1CYP3A4
SCHEMBL13674802 0.70 MAOA (0.56) MAOAMAOBKDM4EMEN1ALDH1A1

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 15 patents. 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-2315588-B1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS ROTTAPHARM SPA (IT) 2012-12-19 EP disclosed
EP-2315588-B1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS ROTTAPHARM SPA (IT) 2012-12-19 EP 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

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-20110118289-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS OPRM1, OPRD1, HTR3C MAOA 8/4885MAOB 10/4885LCK 3052/4885

“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.