SCHEMBL4175274

SCHEMBL4175274

Cc1nc(NC2CC2)c2cc(-c3cccc(CN(C(=O)c4ccncc4)C4CC4)c3)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPR1 P16066 5/20 0.44
IRAK4 Q9NWZ3 4/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
GABBR2 O75899 2/20 0.40
GABBR1 Q9UBS5 2/20 0.40
AVPR1B P47901 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
SCHEMBL4182121 0.94 NPR1 (0.46) NPR1IRAK4USP2CYP1A2CYP3A4
SCHEMBL4173681 0.91 IRAK4 (0.46) NPR1IRAK4USP2CYP1A2CYP3A4
SCHEMBL4184048 0.89 GABBR2 (0.45) NPR1IRAK4USP2CYP1A2CYP3A4
SCHEMBL4177240 0.89 NPR1 (0.52) NPR1
SCHEMBL4187240 0.89 IRAK4 (0.44) NPR1IRAK4USP2CYP1A2CYP3A4
SCHEMBL4188198 0.88 NPR1 (0.47) NPR1IRAK4EGLN1GABBR2GABBR1
SCHEMBL4191106 0.88 NPR1 (0.43) NPR1IRAK4EGLN1GABBR2GABBR1
SCHEMBL4166983 0.87 GABBR2 (0.51) NPR1GABBR2GABBR1
SCHEMBL4177926 0.87 NPR1 (0.46) NPR1GABBR2GABBR1
SCHEMBL4182216 0.87 NPR1 (0.47) NPR1IRAK4GABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US claimed
EP-1996562-A1 SUBSTITUTED 4-AMINO-QUINAZOLINE DERIVATIVES AS REGULATORS OF METABOTROPIC GLUTAMATE RECEPTORS AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-12-03 EP claimed
WO-2007104560-A1 SUBSTITUTED 4-AMINO-QUINAZOLINE DERIVATIVES AS REGULATORS OF METABOTROPIC GLUTAMATE RECEPTORS AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-09-20 WO claimed
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US disclosed
EP-1996562-A1 SUBSTITUTED 4-AMINO-QUINAZOLINE DERIVATIVES AS REGULATORS OF METABOTROPIC GLUTAMATE RECEPTORS AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-12-03 EP disclosed
WO-2007104560-A1 SUBSTITUTED 4-AMINO-QUINAZOLINE DERIVATIVES AS REGULATORS OF METABOTROPIC GLUTAMATE RECEPTORS AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-09-20 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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 NPR1 645/4885IRAK4 864/4885USP2 2425/4885

“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.