SCHEMBL4192046

SCHEMBL4192046

CC(=O)N(Cc1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1)C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 10/20 0.56
MAP4K4 O95819 4/20 0.55
CYP1A2 P05177 6/20 0.55
CYP3A4 P08684 5/20 0.55
USP2 O75604 4/20 0.55
CLK4 Q9HAZ1 4/20 0.55
LMNA P02545 3/20 0.54
MAPK1 P28482 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP2D6 P10635 2/20 0.54
ALDH1A1 P00352 2/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.49

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
SCHEMBL4170949 0.99 IRAK4 (0.56) IRAK4MAP4K4CYP1A2CYP3A4USP2
SCHEMBL4177424 0.96 IRAK4 (0.60) IRAK4MAP4K4CYP1A2CYP3A4USP2
SCHEMBL4182032 0.88 IRAK4 (0.57) IRAK4MAP4K4CYP1A2CYP3A4USP2
SCHEMBL4173066 0.88 IRAK4 (0.61) IRAK4MAP4K4CYP1A2CYP3A4USP2
SCHEMBL4185275 0.88 CYP1A2 (0.59) IRAK4MAP4K4CYP1A2CYP3A4USP2
SCHEMBL4171543 0.88 IRAK4 (0.54) IRAK4MAP4K4CYP1A2CYP3A4USP2
SCHEMBL4187738 0.87 CYP1A2 (0.59) IRAK4MAP4K4CYP1A2CYP3A4USP2
SCHEMBL13917321 0.87 IRAK4 (0.57) IRAK4MAP4K4CYP1A2CYP3A4USP2
SCHEMBL4177899 0.87 CYP1A2 (0.61) IRAK4MAP4K4CYP1A2CYP3A4USP2
SCHEMBL4181064 0.87 IRAK4 (0.55) IRAK4MAP4K4CYP1A2CYP3A4USP2

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 IRAK4 864/4885MAP4K4 1662/4885CYP1A2 4353/4885

“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.