SCHEMBL4176544

SCHEMBL4176544

Fc1c(CNC2CC2)cccc1-c1ccc2ncnc(NC3CC3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 12/20 0.62
CYP2C19 P33261 11/20 0.62
CYP2D6 P10635 10/20 0.62
CYP3A4 P08684 9/20 0.62
KDM4E B2RXH2 1/20 0.62
CLK4 Q9HAZ1 10/20 0.60
USP2 O75604 9/20 0.60
LMNA P02545 7/20 0.60
TSHR P16473 5/20 0.60
MAP4K4 O95819 2/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPK1 P28482 4/20 0.53
ALDH1A1 P00352 3/20 0.53
ALOX15 P16050 2/20 0.53
TP53 P04637 1/20 0.52
CYP2C9 P11712 1/20 0.52
HSD17B10 Q99714 3/20 0.51
IRAK4 Q9NWZ3 5/20 0.50

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
SCHEMBL4176548 0.83 CYP1A2 (0.54) CYP1A2CYP2C19CYP2D6CYP3A4KDM4E
SCHEMBL4173804 0.83 MAP4K4 (0.60) CYP1A2CYP2C19CYP2D6CYP3A4KDM4E
SCHEMBL4184932 0.80 CYP2D6 (0.60) CYP1A2CYP2C19CYP2D6CYP3A4KDM4E
SCHEMBL4173751 0.79 MAP4K4 (0.67) CYP1A2CYP2C19CYP2D6CYP3A4KDM4E
SCHEMBL4181458 0.77 MAP4K4 (0.64) CYP1A2CYP2C19CYP2D6CYP3A4KDM4E
SCHEMBL4179883 0.76 CYP1A2 (0.54) CYP1A2CYP2C19CYP2D6CYP3A4KDM4E
SCHEMBL4177153 0.76 CYP1A2 (0.65) CYP1A2CYP2C19CYP2D6CYP3A4KDM4E
SCHEMBL4354726 0.75 CYP1A2 (0.70) CYP1A2CYP2C19CYP2D6CYP3A4CLK4
SCHEMBL4178926 0.73 MAP4K4 (0.62) CYP1A2CYP2C19CYP2D6CYP3A4KDM4E
SCHEMBL4191093 0.73 CYP1A2 (0.70) CYP1A2CYP2C19CYP2D6CYP3A4KDM4E

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 4232/4885CYP2D6 4096/4885

“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.