SCHEMBL4177519

SCHEMBL4177519

O=C(c1ccccc1C(F)(F)F)N(Cc1cc(-c2ccc3ncnc(NC4CC4)c3c2)ccc1F)C1CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.57
CYP2C19 P33261 3/20 0.57
CYP3A4 P08684 3/20 0.57
USP2 O75604 2/20 0.57
CLK4 Q9HAZ1 2/20 0.57
CYP2D6 P10635 2/20 0.57
TSHR P16473 1/20 0.57
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
CYP2C9 P11712 1/20 0.51
IRAK4 Q9NWZ3 15/20 0.50
KDM4E B2RXH2 1/20 0.48
MAP4K4 O95819 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
SCHEMBL4180229 0.93 CYP1A2 (0.56) CYP1A2CYP2C19CYP3A4USP2CLK4
SCHEMBL4167294 0.90 CYP3A4 (0.43) CYP1A2CYP2C19CYP3A4USP2CLK4
SCHEMBL4188410 0.89 CYP1A2 (0.57) CYP1A2CYP2C19CYP3A4USP2CLK4
SCHEMBL4184391 0.88 CYP1A2 (0.56) CYP1A2CYP2C19CYP3A4USP2CLK4
SCHEMBL4184216 0.88 CYP1A2 (0.58) CYP1A2CYP2C19CYP3A4USP2CLK4
SCHEMBL4184476 0.87 NPR1 (0.43) CYP1A2CYP2C19CYP3A4USP2CLK4
SCHEMBL4190785 0.87 IRAK4 (0.53) CYP1A2CYP2C19CYP3A4USP2CLK4
SCHEMBL4175220 0.87 IRAK4 (0.54) CYP1A2CYP3A4USP2CLK4LMNA
SCHEMBL4167333 0.86 IRAK4 (0.54) CYP1A2CYP2C19CYP3A4USP2CLK4
SCHEMBL4173023 0.85 CYP1A2 (0.53) CYP1A2CYP2C19CYP3A4USP2CLK4

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 4353/4885CYP2C19 4232/4885CYP3A4 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.