SCHEMBL4167294

SCHEMBL4167294

CC(C)(C)Nc1ncnc2ccc(-c3ccc(F)c(CN(C(=O)c4ccccc4C(F)(F)F)C4CC4)c3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.43
CYP1A2 P05177 9/20 0.43
CYP2C19 P33261 7/20 0.43
CLK4 Q9HAZ1 7/20 0.43
CYP2D6 P10635 7/20 0.43
USP2 O75604 6/20 0.43
TSHR P16473 4/20 0.43
PDPK1 O15530 1/20 0.42
HPGD P15428 1/20 0.41
LMNA P02545 5/20 0.41
TP53 P04637 1/20 0.41
CYP2C9 P11712 1/20 0.41
IRAK4 Q9NWZ3 6/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
HIF1A Q16665 1/20 0.39
CD38 P28907 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4177519 0.90 CYP1A2 (0.57) CYP3A4CYP1A2CYP2C19CLK4CYP2D6
SCHEMBL4173806 0.89 CYP1A2 (0.45) CYP3A4CYP1A2CYP2C19CLK4CYP2D6
SCHEMBL4176280 0.88 IRAK4 (0.42) CYP3A4CYP1A2CYP2C19CLK4CYP2D6
SCHEMBL4190664 0.87 CYP1A2 (0.42) CYP3A4CYP1A2CYP2C19CLK4CYP2D6
SCHEMBL4178644 0.87 IRAK4 (0.42) CYP3A4CYP1A2CLK4USP2PDPK1
SCHEMBL4179016 0.86 PDPK1 (0.42) CYP3A4CYP1A2CYP2C19CLK4CYP2D6
SCHEMBL4180757 0.86 IRAK4 (0.43) CYP3A4CYP1A2CYP2C19CLK4CYP2D6
SCHEMBL4184788 0.86 IRAK4 (0.44) CYP3A4CYP1A2CYP2C19CLK4CYP2D6
SCHEMBL4180045 0.85 CCRL2 (0.41) CYP3A4CYP1A2CLK4USP2PDPK1
SCHEMBL4178119 0.85 IRAK4 (0.43) CYP3A4CYP1A2CLK4USP2PDPK1

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 CYP3A4 4173/4885CYP1A2 4353/4885CYP2C19 4232/4885

“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.