SCHEMBL4188429

SCHEMBL4188429

Cc1nc(NC2CC2)c2cc(-c3ccc(F)c(CN(C4CC4)S(=O)(=O)c4ccccc4)c3)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.42
NPR1 P16066 10/20 0.41
RORC P51449 1/20 0.41
AVPR1B P47901 1/20 0.41
GABBR2 O75899 4/20 0.39
GABBR1 Q9UBS5 4/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL4181071 0.92 GABBR2 (0.49) NPR1RORCGABBR2GABBR1
SCHEMBL4178294 0.91 AVPR1B (0.52) IRAK4RORCAVPR1B
SCHEMBL4176855 0.90 NPR1 (0.40) IRAK4NPR1GABBR2GABBR1
SCHEMBL4174675 0.89 IRAK4 (0.41) IRAK4NPR1GABBR2GABBR1CYP1A2
SCHEMBL4188511 0.88 RORC (0.42) IRAK4NPR1RORCGABBR2GABBR1
SCHEMBL4180398 0.88 NPR1 (0.39) IRAK4NPR1GABBR2GABBR1
SCHEMBL4183101 0.87 NPR1 (0.42) IRAK4NPR1GABBR2GABBR1
SCHEMBL4184674 0.87 IRAK4 (0.47) IRAK4NPR1GABBR2GABBR1CYP1A2
SCHEMBL4184492 0.87 IRAK4 (0.56) IRAK4KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL4191110 0.86 RORC (0.44) IRAK4NPR1RORCGABBR2GABBR1

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 IRAK4 864/4885NPR1 645/4885RORC 1045/4885

“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.