SCHEMBL1896820

SCHEMBL1896820

c1ccc2nc(-c3cc4c(cc3-n3ccnc3)OCO4)ncc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.54
MAOB P27338 6/20 0.54
CYP1A2 P05177 5/20 0.44
USP2 O75604 4/20 0.44
CYP3A4 P08684 4/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C19 P33261 3/20 0.44
CLK4 Q9HAZ1 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
OGA O60502 1/20 0.39
LMNA P02545 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
CASP7 P55210 1/20 0.39
NOS2 P35228 5/20 0.39
CYP19A1 P11511 1/20 0.38
NPC1 O15118 1/20 0.36

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
SCHEMBL727684 0.82 MAOA (0.53) MAOAMAOBCYP1A2USP2CYP3A4
SCHEMBL1903725 0.81 MAOA (0.55) MAOAMAOBCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL1905169 0.81 MAOA (0.52) MAOAMAOBCYP1A2USP2CYP3A4
SCHEMBL1898072 0.80 MAOA (0.51) MAOAMAOBCYP1A2USP2CYP3A4
SCHEMBL1896823 0.70 MAOA (1.00) MAOAMAOBCYP1A2USP2CYP3A4
SCHEMBL3522560 0.69 ALDH1A1 (0.61) MAOAMAOBCYP1A2USP2CYP3A4
SCHEMBL7457811 0.68 CYP11B1 (0.56) MAOAMAOBCYP1A2USP2CYP3A4
SCHEMBL1899080 0.64 MAOA (1.00) MAOAMAOBCYP1A2USP2CYP3A4
SCHEMBL27402320 0.63 CYP3A4 (0.47) MAOAMAOBCYP1A2USP2CYP3A4
SCHEMBL29623853 0.63 MAOA (1.00) MAOAMAOBUSP2CYP3A4CYP11B1

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 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
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

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 10/4885CYP1A2 46/4885

“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.