SCHEMBL4173798

SCHEMBL4173798

O=C(c1cccc(C(F)(F)F)c1)N(Cc1cc(-c2ccc3ncnc(NC4CC4)c3c2)ccc1F)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.51
CYP3A4 P08684 3/20 0.51
USP2 O75604 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
IRAK4 Q9NWZ3 14/20 0.50
MAP4K4 O95819 2/20 0.48
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL4169264 0.93 CYP1A2 (0.50) CYP1A2CYP3A4USP2CLK4IRAK4
SCHEMBL4173453 0.91 CYP1A2 (0.53) CYP1A2CYP3A4USP2CLK4IRAK4
SCHEMBL4184216 0.90 CYP1A2 (0.58) CYP1A2CYP3A4USP2CLK4IRAK4
SCHEMBL4180045 0.90 CCRL2 (0.41) CYP1A2CYP3A4USP2CLK4IRAK4
SCHEMBL4177228 0.88 CYP1A2 (0.50) CYP1A2CYP3A4USP2CLK4IRAK4
SCHEMBL4190785 0.88 IRAK4 (0.53) CYP1A2CYP3A4USP2CLK4IRAK4
SCHEMBL4173289 0.88 GABBR2 (0.48)
SCHEMBL4181944 0.86 IRAK4 (0.57) CYP1A2CYP3A4USP2CLK4IRAK4
SCHEMBL4187266 0.86 IRAK4 (0.57) CYP1A2CYP3A4USP2CLK4IRAK4
SCHEMBL4176785 0.86 CYP1A2 (0.55) CYP1A2CYP3A4USP2CLK4IRAK4

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 CYP1A2 4353/4885CYP3A4 4173/4885USP2 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.