SCHEMBL728248

SCHEMBL728248

COc1ccccc1-c1ccc2cc(-n3ccnc3C)ccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.64
MAOB P27338 5/20 0.64
P2RX4 Q99571 1/20 0.40
ICMT O60725 1/20 0.39
HSP90AA1 P07900 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPK9 P45984 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
Hydrochloric Acid SCHEMBL1901179 0.99 MAOA (0.63) MAOAMAOBP2RX4ICMTHSP90AA1
SCHEMBL2357840 0.85 MAOA (0.48) MAOAMAOBCYP3A4LMNACYP1A2
SCHEMBL12669374 0.81 MAOA (0.67) MAOAMAOBALDH1A1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL1897625 0.80 MAOA (0.66) MAOAMAOBALDH1A1CYP3A4CYP2D6
SCHEMBL727724 0.79 MAOA (0.63) MAOAMAOBALDH1A1CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL1898447 0.78 MAOA (0.61) MAOAMAOBALDH1A1CYP3A4CYP1A2
SCHEMBL728011 0.78 MAOA (1.00) MAOAMAOBALDH1A1CYP3A4LMNA
Hydrochloric Acid SCHEMBL1899222 0.77 MAOA (0.98) MAOAMAOBALDH1A1CYP3A4LMNA
SCHEMBL13674802 0.76 MAOA (0.56) MAOAMAOBALDH1A1CYP3A4CYP1A2
SCHEMBL14237644 0.76 MAOA (0.41) MAOAMAOBP2RX4HSP90AA1ALDH1A1

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 16 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
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
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 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
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 10/4885P2RX4 276/4885

“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.