SCHEMBL4175263

SCHEMBL4175263

O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N(Cc1cccc(-c2cc(F)c3ncnc(NC4CC4)c3c2)c1)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.49
HDAC8 Q9BY41 3/20 0.49
IRAK4 Q9NWZ3 14/20 0.44
HDAC3 O15379 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MAP4K4 O95819 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
SCHEMBL4169202 0.90 IRAK4 (0.45) HDAC6HDAC8IRAK4USP2LMNA
SCHEMBL4173784 0.89 IRAK4 (0.46) IRAK4USP2LMNACYP1A2CYP3A4
SCHEMBL4188543 0.88 IRAK4 (0.41) HDAC6HDAC8IRAK4USP2LMNA
SCHEMBL4181009 0.87 IRAK4 (0.39) HDAC6HDAC8IRAK4USP2LMNA
SCHEMBL4184761 0.87 IRAK4 (0.41) HDAC6HDAC8IRAK4USP2LMNA
SCHEMBL4181678 0.87 IRAK4 (0.44) IRAK4USP2LMNACYP1A2CYP3A4
SCHEMBL4181855 0.87 IRAK4 (0.45) IRAK4USP2LMNACYP1A2CYP3A4
SCHEMBL4167314 0.86 MAP4K4 (0.42) HDAC6HDAC8IRAK4USP2LMNA
SCHEMBL4181041 0.86 LMNA (0.44) IRAK4USP2LMNACYP1A2CYP3A4
SCHEMBL4176010 0.82 IRAK4 (0.44) HDAC6HDAC8IRAK4HDAC3USP2

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 HDAC6 712/4885HDAC8 850/4885IRAK4 864/4885

“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.