SCHEMBL4191606

SCHEMBL4191606

O=S(=O)(c1cccc2cccnc12)N(Cc1cc(-c2ccc3ncnc(NC4CC4)c3c2)ccn1)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.49
USP2 O75604 5/20 0.49
CLK4 Q9HAZ1 5/20 0.49
CYP3A4 P08684 5/20 0.49
MAPK1 P28482 4/20 0.49
CYP2C19 P33261 4/20 0.49
LMNA P02545 3/20 0.49
IRAK4 Q9NWZ3 13/20 0.48
MAP4K4 O95819 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
CYP2D6 P10635 3/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL4184247 0.88 MAP4K4 (0.49) CYP1A2USP2CLK4CYP3A4MAPK1
SCHEMBL4176707 0.88 CYP1A2 (0.48) CYP1A2USP2CLK4CYP3A4MAPK1
SCHEMBL4184933 0.84 IRAK4 (0.56) CYP1A2USP2CLK4CYP3A4MAPK1
SCHEMBL4184189 0.84 IRAK4 (0.52) CYP1A2USP2CLK4CYP3A4MAPK1
SCHEMBL4181965 0.83 MAP4K4 (0.51) CYP1A2USP2CLK4CYP3A4MAPK1
SCHEMBL4180432 0.82 IRAK4 (0.59) CYP1A2USP2CLK4CYP3A4MAPK1
SCHEMBL4169253 0.82 IRAK4 (0.50) CYP1A2USP2CLK4CYP3A4MAPK1
SCHEMBL4173171 0.82 IRAK4 (0.52) CYP1A2USP2CLK4CYP3A4MAPK1
SCHEMBL4182064 0.80 IRAK4 (0.56) CYP1A2USP2CLK4CYP3A4MAPK1
SCHEMBL4185489 0.80 IRAK4 (0.55) CYP1A2USP2CLK4CYP3A4MAPK1

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 4353/4885USP2 2425/4885CLK4 3820/4885

“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.