SCHEMBL4180138

SCHEMBL4180138

O=C(c1ccccc1)N(Cc1cccc(-c2cc(F)c3ncnc(NC4CC4)c3c2)c1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 5/20 0.43
OPRM1 P35372 1/20 0.43
CYP1A2 P05177 2/20 0.42
USP2 O75604 1/20 0.42
CYP3A4 P08684 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
PDPK1 O15530 2/20 0.41
RPS6KB1 P23443 2/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
AGER Q15109 2/20 0.41
MTNR1A P48039 1/20 0.41
SMYD3 Q9H7B4 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4184297 0.94 IRAK4 (0.41) IRAK4CYP1A2USP2CYP3A4CLK4
SCHEMBL4187760 0.94 OPRM1 (0.42) IRAK4OPRM1CYP1A2USP2CYP3A4
SCHEMBL4173970 0.91 IRAK4 (0.45) IRAK4CYP1A2USP2CYP3A4CLK4
SCHEMBL4178637 0.91 IRAK4 (0.40) IRAK4CYP1A2USP2CYP3A4CLK4
SCHEMBL4176678 0.91 MAP4K4 (0.42) IRAK4CYP1A2USP2CYP3A4CLK4
SCHEMBL4181502 0.91 RAB9A (0.41) IRAK4CYP1A2USP2CYP3A4CLK4
SCHEMBL4176010 0.90 IRAK4 (0.44) IRAK4CYP1A2USP2CYP3A4CLK4
SCHEMBL4184181 0.90 IRAK4 (0.43) IRAK4PDPK1RPS6KB1AURKAAURKB
SCHEMBL4176243 0.89 IRAK4 (0.46) IRAK4CYP1A2USP2CYP3A4CLK4
SCHEMBL4177646 0.89 OPRM1 (0.43) IRAK4OPRM1CYP1A2USP2CYP3A4

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 864/4885OPRM1 200/4885CYP1A2 4353/4885

“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.