SCHEMBL4173517

SCHEMBL4173517

Cc1cc2ncnc(NC3CC3)c2cc1-c1cccc(CN(C(=O)c2cccs2)C2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 10/20 0.44
CYP1A2 P05177 5/20 0.42
CYP3A4 P08684 5/20 0.42
CYP2C19 P33261 4/20 0.42
USP2 O75604 4/20 0.42
CLK4 Q9HAZ1 4/20 0.42
CYP2D6 P10635 3/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.41
RIPK2 O43353 1/20 0.40
RIPK3 Q9Y572 1/20 0.40
OPRM1 P35372 1/20 0.40
MAPK1 P28482 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
SCHEMBL4185107 0.88 IRAK4 (0.47) IRAK4CYP1A2CYP3A4CYP2C19USP2
SCHEMBL4178287 0.88 IRAK4 (0.47) IRAK4CYP1A2CYP3A4CYP2C19USP2
SCHEMBL4177224 0.88 IRAK4 (0.52) IRAK4CYP1A2CYP3A4CYP2C19USP2
SCHEMBL4167440 0.88 IRAK4 (0.49) IRAK4CYP1A2CYP3A4CYP2C19USP2
SCHEMBL4178796 0.87 CYP1A2 (0.49) IRAK4CYP1A2CYP3A4CYP2C19USP2
SCHEMBL4175584 0.87 IRAK4 (0.42) IRAK4CYP1A2CYP3A4CYP2C19USP2
SCHEMBL4191554 0.87 IRAK4 (0.45) IRAK4CYP1A2CYP3A4CYP2C19USP2
SCHEMBL4170285 0.87 IRAK4 (0.45) IRAK4CYP1A2CYP3A4CYP2C19USP2
SCHEMBL4170798 0.86 IRAK4 (0.44) IRAK4CYP1A2CYP3A4CYP2C19USP2
SCHEMBL4169077 0.86 CYP1A2 (0.44) IRAK4CYP1A2CYP3A4CYP2C19USP2

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 864/4885CYP1A2 4353/4885CYP3A4 4173/4885

“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.