SCHEMBL4173540

SCHEMBL4173540

CS(=O)(=O)N(Cc1cccc(-c2ccc3ncnc(NCCc4ccccc4)c3c2)c1)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.49
CYP1A2 P05177 10/20 0.47
CYP3A4 P08684 10/20 0.47
CLK4 Q9HAZ1 8/20 0.47
LMNA P02545 7/20 0.47
ALDH1A1 P00352 6/20 0.47
DYRK1A Q13627 1/20 0.47
CCNC P24863 1/20 0.47
CDKN1A P38936 1/20 0.47
CDK8 P49336 1/20 0.47
CDK19 Q9BWU1 1/20 0.47
MAPK1 P28482 8/20 0.47
EGFR P00533 3/20 0.47
APP P05067 1/20 0.47
HTT P42858 1/20 0.47
USP2 O75604 8/20 0.46
CYP2C19 P33261 7/20 0.46
CYP2D6 P10635 6/20 0.46
TSHR P16473 5/20 0.46
HIF1A Q16665 5/20 0.46

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
SCHEMBL4181108 0.91 IRAK4 (0.47) IRAK4CYP1A2CYP3A4CLK4LMNA
SCHEMBL4183947 0.90 DYRK1A (0.47) IRAK4CYP1A2CYP3A4CLK4LMNA
SCHEMBL4187778 0.90 DYRK1A (0.47) IRAK4CYP1A2CYP3A4CLK4LMNA
SCHEMBL4180580 0.88 HDAC8 (0.47) IRAK4CYP1A2CYP3A4CLK4LMNA
SCHEMBL4181447 0.87 CLK4 (0.44) IRAK4CYP1A2CYP3A4CLK4LMNA
SCHEMBL4170307 0.86 CLK4 (0.51) IRAK4CYP1A2CYP3A4CLK4LMNA
SCHEMBL4178682 0.85 IRAK4 (0.63) IRAK4CYP1A2CYP3A4CLK4LMNA
SCHEMBL4183706 0.85 LMNA (0.43) IRAK4CYP1A2CYP3A4CLK4LMNA
SCHEMBL4183716 0.85 CLK4 (0.66) CYP1A2CYP3A4CLK4LMNAALDH1A1
SCHEMBL4177922 0.85 PIK3CD (0.48) IRAK4CLK4LMNADYRK1ACCNC

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.