SCHEMBL4177776

SCHEMBL4177776

Cc1nc(NC2CC2)c2cc(-c3cccc(CN(C4CC4)S(=O)(=O)c4cccc5cccnc45)c3)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
NPR1 P16066 7/20 0.40
MAPT P10636 1/20 0.39
GABBR2 O75899 2/20 0.38
GABBR1 Q9UBS5 2/20 0.38
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4181709 0.89 NPR1 (0.39) IRAK4ALDH1A1HPGDCYP3A4CYP2C19
SCHEMBL4184674 0.85 IRAK4 (0.47) IRAK4CYP3A4CYP2C19USP2LMNA
SCHEMBL4177693 0.85 HDAC8 (0.49) IRAK4NPR1GABBR2GABBR1
SCHEMBL4184097 0.84 IRAK4 (0.47) IRAK4ALDH1A1CYP3A4CYP2C19USP2
SCHEMBL4176204 0.84 GABBR2 (0.45) IRAK4CYP3A4CYP2C19USP2LMNA
SCHEMBL4182087 0.83 IRAK4 (0.44) IRAK4ALDH1A1HPGDCYP3A4CYP2C19
SCHEMBL4182949 0.83 IRAK4 (0.42) IRAK4CYP3A4CYP2C19USP2LMNA
SCHEMBL4184296 0.82 NPR1 (0.46) IRAK4CYP3A4CYP2C19USP2LMNA
SCHEMBL4191073 0.82 IRAK4 (0.47) IRAK4CYP3A4CYP2C19USP2LMNA
SCHEMBL4178356 0.81 ALDH1A1 (0.44) IRAK4ALDH1A1CYP3A4CYP2C19USP2

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 864/4885ALDH1A1 2269/4885HPGD 2246/4885

“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.