SCHEMBL4177922

SCHEMBL4177922

O=S(=O)(c1ccc(Cl)cc1Cl)N(Cc1cccc(-c2ccc3ncnc(NCCc4ccccc4)c3c2)c1)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.48
PIK3R1 P27986 1/20 0.48
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
HTT P42858 4/20 0.46
NR2F2 P24468 1/20 0.44
MAP4K4 O95819 5/20 0.42
CLK4 Q9HAZ1 4/20 0.42
DYRK1A Q13627 1/20 0.42
EGFR P00533 2/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
CCNC P24863 1/20 0.41
CDKN1A P38936 1/20 0.41
CDK8 P49336 1/20 0.41
CDK19 Q9BWU1 1/20 0.41
LMNA P02545 1/20 0.41
APP P05067 1/20 0.41
MAPK1 P28482 1/20 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
SCHEMBL4187778 0.87 DYRK1A (0.47) PIK3CDPIK3R1CNR1CNR2HTT
SCHEMBL4182945 0.87 CLK4 (0.61) CLK4LMNAMAPK1
SCHEMBL4173540 0.85 IRAK4 (0.49) HTTCLK4DYRK1AEGFRIRAK4
SCHEMBL4180580 0.84 HDAC8 (0.47) PIK3CDPIK3R1CNR1CNR2HTT
SCHEMBL4184127 0.84 DYRK1A (0.47) CNR1CNR2HTTCLK4DYRK1A
SCHEMBL4183947 0.84 DYRK1A (0.47) PIK3CDPIK3R1CNR1CNR2HTT
SCHEMBL4181447 0.84 CLK4 (0.44) PIK3CDPIK3R1CNR1CNR2HTT
SCHEMBL4181108 0.83 IRAK4 (0.47) CNR1CNR2HTTMAP4K4CLK4
SCHEMBL4183706 0.82 LMNA (0.43) CNR1CNR2HTTCLK4DYRK1A
SCHEMBL4184470 0.82 CLK4 (0.58) CLK4LMNAMAPK1

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 PIK3CD 1880/4885PIK3R1 1823/4885CNR1 137/4885

“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.