SCHEMBL4180580

SCHEMBL4180580

O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N(Cc1cccc(-c2ccc3ncnc(NCCc4ccccc4)c3c2)c1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
DYRK1A Q13627 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
CCNC P24863 1/20 0.44
CDKN1A P38936 1/20 0.44
CDK8 P49336 1/20 0.44
CDK19 Q9BWU1 1/20 0.44
MAPK1 P28482 6/20 0.43
LMNA P02545 5/20 0.43
HTT P42858 2/20 0.43
EGFR P00533 2/20 0.43
APP P05067 1/20 0.43
FYN P06241 1/20 0.42
SRC P12931 1/20 0.42
CLK4 Q9HAZ1 7/20 0.41
ALDH1A1 P00352 5/20 0.41
CYP1A2 P05177 5/20 0.41
CYP3A4 P08684 5/20 0.41
CYP2D6 P10635 4/20 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 0.90 DYRK1A (0.47) DYRK1AIRAK4CCNCCDKN1ACDK8
SCHEMBL4173540 0.88 IRAK4 (0.49) DYRK1AIRAK4CCNCCDKN1ACDK8
SCHEMBL4183947 0.87 DYRK1A (0.47) DYRK1AIRAK4CCNCCDKN1ACDK8
SCHEMBL4183706 0.87 LMNA (0.43) DYRK1AIRAK4CCNCCDKN1ACDK8
SCHEMBL4181447 0.86 CLK4 (0.44) DYRK1AIRAK4CCNCCDKN1ACDK8
SCHEMBL4188220 0.86 CLK4 (0.60) MAPK1LMNACLK4ALDH1A1CYP1A2
SCHEMBL4184127 0.85 DYRK1A (0.47) DYRK1AIRAK4CCNCCDKN1ACDK8
SCHEMBL4181108 0.85 IRAK4 (0.47) DYRK1AIRAK4CCNCCDKN1ACDK8
SCHEMBL4170307 0.84 CLK4 (0.51) DYRK1AIRAK4MAPK1LMNAEGFR
SCHEMBL4177922 0.84 PIK3CD (0.48) DYRK1AIRAK4CCNCCDKN1ACDK8

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 HDAC8 850/4885HDAC6 712/4885DYRK1A 3582/4885

“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.