SCHEMBL4181502

SCHEMBL4181502

O=C(c1ccccn1)N(Cc1cccc(-c2cc(F)c3ncnc(NC4CC4)c3c2)c1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
IRAK4 Q9NWZ3 8/20 0.41
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
TSHR P16473 1/20 0.39
PDPK1 O15530 2/20 0.38
RPS6KB1 P23443 2/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
SMYD3 Q9H7B4 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
SCHEMBL4180138 0.91 IRAK4 (0.43) IRAK4USP2CYP1A2CYP3A4CLK4
SCHEMBL4184297 0.90 IRAK4 (0.41) IRAK4USP2CYP1A2CYP3A4CLK4
SCHEMBL4187760 0.88 OPRM1 (0.42) IRAK4USP2CYP1A2CYP3A4CLK4
SCHEMBL4176010 0.88 IRAK4 (0.44) RAB9AIRAK4USP2CYP1A2CYP3A4
SCHEMBL4173970 0.88 IRAK4 (0.45) IRAK4USP2CYP1A2CYP3A4CLK4
SCHEMBL4176678 0.87 MAP4K4 (0.42) IRAK4USP2CYP1A2CYP3A4CLK4
SCHEMBL4174777 0.87 IRAK4 (0.41) RAB9AIRAK4USP2CYP1A2CYP3A4
SCHEMBL4184548 0.87 IRAK4 (0.40) IRAK4USP2CYP1A2CYP3A4CLK4
SCHEMBL4178109 0.87 IRAK4 (0.55) IRAK4USP2CYP1A2CYP3A4CLK4
SCHEMBL4176243 0.87 IRAK4 (0.46) IRAK4USP2CYP1A2CYP3A4CLK4

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 RAB9A 739/4885IRAK4 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.