SCHEMBL4181491

SCHEMBL4181491

COCC(=O)N(Cc1cc(-c2ccc3ncnc(NC(C)(C)C)c3c2)ccc1F)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 14/20 0.42
CD38 P28907 1/20 0.41
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
PDPK1 O15530 1/20 0.39
PIK3CD O00329 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 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
SCHEMBL4176629 0.89 IRAK4 (0.54) IRAK4CYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL4170443 0.89 IRAK4 (0.44) IRAK4CD38CYP3A4USP2CYP1A2
SCHEMBL4184788 0.89 IRAK4 (0.44) IRAK4CD38CYP3A4ALDH1A1HSD17B10
SCHEMBL4178119 0.88 IRAK4 (0.43) IRAK4CD38CYP3A4ALDH1A1HSD17B10
SCHEMBL4182596 0.87 IRAK4 (0.41) IRAK4CD38CYP3A4USP2CYP1A2
SCHEMBL4655355 0.87 IRAK4 (0.41) IRAK4CD38CYP3A4USP2CYP1A2
SCHEMBL4173323 0.87 IRAK4 (0.42) IRAK4CD38CYP3A4ALDH1A1TSHR
SCHEMBL4180757 0.85 IRAK4 (0.43) IRAK4CD38CYP3A4ALDH1A1HSD17B10
SCHEMBL4191270 0.85 IRAK4 (0.41) IRAK4CD38CYP3A4ALDH1A1TSHR
SCHEMBL4173806 0.85 CYP1A2 (0.45) IRAK4CD38CYP3A4ALDH1A1TSHR

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 864/4885CD38 3184/4885CYP3A4 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.