SCHEMBL2533155

SCHEMBL2533155

Cc1nccn1-c1ccc2nc(-c3ccc4c(c3)OCO4)ncc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.66
MAOB P27338 9/20 0.66
CLK4 Q9HAZ1 4/20 0.43
USP2 O75604 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 3/20 0.41
KDM4E B2RXH2 2/20 0.41
DYRK1A Q13627 2/20 0.41
MAPK9 P45984 1/20 0.41
MAPK14 Q16539 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL1896823 0.80 MAOA (1.00) MAOAMAOBCLK4USP2ALDH1A1
SCHEMBL728003 0.79 MAOA (1.00) MAOAMAOBALDH1A1CYP3A4CYP2D6
SCHEMBL1903038 0.79 MAOA (1.00) MAOAMAOBCLK4USP2ALDH1A1
SCHEMBL12363257 0.78 MAOA (0.64) MAOAMAOBCLK4USP2ALDH1A1
SCHEMBL728246 0.78 MAOA (0.74) MAOAMAOBALDH1A1CYP1A2CYP3A4
SCHEMBL2242598 0.75 MAOA (0.51) MAOAMAOBCLK4USP2ALDH1A1
SCHEMBL1752207 0.74 MAOA (0.60) MAOAMAOBCLK4USP2ALDH1A1
SCHEMBL1899080 0.73 MAOA (1.00) MAOAMAOBCLK4USP2ALDH1A1
SCHEMBL3522560 0.72 ALDH1A1 (0.61) MAOAMAOBCLK4USP2ALDH1A1
SCHEMBL1747920 0.70 MAOA (0.54) MAOAMAOBALDH1A1CYP1A2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066653-B1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM SPA (IT) 2012-09-12 EP disclosed
EP-2066653-B1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM SPA (IT) 2012-09-12 EP disclosed
US-8193353-B2 6-1H-imidazo-quinazoline and quinolines derivatives, new potent analgesics and anti-inflammatory agents ROTTAPHARM S.P.A (IT) 2012-06-05 US disclosed
US-8193353-B2 6-1H-imidazo-quinazoline and quinolines derivatives, new potent analgesics and anti-inflammatory agents ROTTAPHARM S.P.A (IT) 2012-06-05 US disclosed
US-8193353-B2 6-1H-imidazo-quinazoline and quinolines derivatives, new potent analgesics and anti-inflammatory agents ROTTAPHARM S.P.A (IT) 2012-06-05 US disclosed
US-20110257209-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM S.P.A (IT) 2011-10-20 US disclosed
US-20110257209-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM S.P.A (IT) 2011-10-20 US disclosed
US-20110257209-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM S.P.A (IT) 2011-10-20 US disclosed
US-7994181-B2 6-1H-imidazo-quinazoline and quinolines derivatives, new potent analgesics and anti-inflammatory agents ROTTAPHARM S.P.A. (IT) 2011-08-09 US disclosed
US-20090264451-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM S.P.A. (IT) 2009-10-22 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 (2 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-20090264451-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS IL1A, IL6, IL1B MAOA 3094/4885MAOB 3506/4885CLK4 1694/4885
US-20110257209-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS IL1A, IL6, IL1B MAOA 3149/4885MAOB 3479/4885CLK4 1584/4885

“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.