SCHEMBL12669372

SCHEMBL12669372

Cc1nccn1-c1ccc2nc(-c3ccoc3)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.62
MAOB P27338 10/20 0.62
KCNH2 Q12809 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
ALDH1A1 P00352 1/20 0.37
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADH5 P11766 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2C P28335 1/20 0.35

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 SCHEMBL1902938 0.99 MAOA (0.61) MAOAMAOBKCNH2HRH3ALDH1A1
SCHEMBL12669374 0.83 MAOA (0.67) MAOAMAOBALDH1A1MAPK9MAPK10
Hydrochloric Acid SCHEMBL1897625 0.81 MAOA (0.66) MAOAMAOBALDH1A1MAPK9MAPK10
SCHEMBL727724 0.79 MAOA (0.63) MAOAMAOBALDH1A1MAPK9MAPK10
Hydrochloric Acid SCHEMBL1898447 0.78 MAOA (0.61) MAOAMAOBALDH1A1MAPK9MAPK10
SCHEMBL12669368 0.77 MAOA (1.00) MAOAMAOBALDH1A1CYP3A4CYP1A2
SCHEMBL13674802 0.76 MAOA (0.56) MAOAMAOBALDH1A1MAPK9MAPK10
Hydrochloric Acid SCHEMBL1900414 0.76 MAOA (0.97) MAOAMAOBALDH1A1CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL14237331 0.75 MAOA (0.64) MAOAMAOBKCNH2HRH3CYP3A4
SCHEMBL10034860 0.75 MAOA (0.53) MAOAMAOBALDH1A1CYP3A4CYP1A2

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 5 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 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-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 10/4885KCNH2 914/4885

“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.