SCHEMBL4177887

SCHEMBL4177887

CC(C)(C)Nc1ncnc2ccc(-c3ccc(F)c(CN(C(=O)c4ccco4)C4CC4)c3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.43
PIK3CD O00329 1/20 0.43
PDPK1 O15530 1/20 0.42
CLK4 Q9HAZ1 6/20 0.39
USP2 O75604 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
CYP2D6 P10635 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP2C19 P33261 2/20 0.39
HSD17B10 Q99714 2/20 0.39
IRAK4 Q9NWZ3 5/20 0.39
CD38 P28907 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 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
SCHEMBL4184923 0.88 PDPK1 (0.42) PIK3CDPDPK1CLK4USP2CYP1A2
SCHEMBL4173806 0.87 CYP1A2 (0.45) PIK3CDPDPK1CLK4USP2CYP1A2
SCHEMBL4180757 0.86 IRAK4 (0.43) PDPK1CLK4USP2CYP1A2CYP3A4
SCHEMBL4184788 0.86 IRAK4 (0.44) PDPK1CLK4USP2CYP1A2CYP3A4
SCHEMBL4173323 0.85 IRAK4 (0.42) OPRM1PDPK1CLK4USP2CYP1A2
SCHEMBL4178119 0.85 IRAK4 (0.43) PDPK1CLK4USP2CYP1A2CYP3A4
SCHEMBL4179016 0.85 PDPK1 (0.42) PDPK1CLK4USP2CYP1A2CYP3A4
SCHEMBL4176574 0.85 CLK4 (0.41) PDPK1CLK4USP2CYP1A2CYP3A4
SCHEMBL4171871 0.85 CYP1A2 (0.42) PDPK1CLK4USP2CYP1A2CYP3A4
SCHEMBL4182470 0.85 CLK4 (0.47) OPRM1CLK4USP2CYP1A2CYP3A4

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 OPRM1 200/4885PIK3CD 1880/4885PDPK1 1133/4885

“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.