SCHEMBL4176568

SCHEMBL4176568

CC(C)(C)Nc1ncnc2ccc(-c3ccc(F)c(CN(C(=O)c4cccnc4)C4CC4)c3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 10/20 0.46
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CD38 P28907 1/20 0.42
PDPK1 O15530 1/20 0.41
DPP4 P27487 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
CCNE2 O96020 2/20 0.41
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
CCNE1 P24864 2/20 0.41

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
SCHEMBL4173806 0.91 CYP1A2 (0.45) IRAK4CYP1A2CYP3A4KDM4EALDH1A1
SCHEMBL4180096 0.90 IRAK4 (0.44) IRAK4CYP1A2CYP3A4KDM4EMEN1
SCHEMBL4181944 0.89 IRAK4 (0.57) IRAK4CYP1A2CYP3A4CLK4USP2
SCHEMBL4176574 0.89 CLK4 (0.41) IRAK4CYP1A2CYP3A4KDM4EMEN1
SCHEMBL4180045 0.88 CCRL2 (0.41) IRAK4CYP1A2CYP3A4KDM4EALDH1A1
SCHEMBL4179016 0.87 PDPK1 (0.42) IRAK4CYP1A2CYP3A4KDM4EALDH1A1
SCHEMBL4171871 0.87 CYP1A2 (0.42) IRAK4CYP1A2CYP3A4KDM4EALDH1A1
SCHEMBL4180757 0.85 IRAK4 (0.43) IRAK4CYP1A2CYP3A4KDM4EALDH1A1
SCHEMBL4184788 0.85 IRAK4 (0.44) IRAK4CYP1A2CYP3A4KDM4EALDH1A1
SCHEMBL4178119 0.84 IRAK4 (0.43) IRAK4CYP1A2CYP3A4KDM4EALDH1A1

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 864/4885CYP1A2 4353/4885CYP3A4 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.