SCHEMBL4178356

SCHEMBL4178356

COc1ccc(S(=O)(=O)N(Cc2cccc(-c3ccc4nc(C)nc(NC5CC5)c4c3)c2)C2CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MAPT P10636 1/20 0.44
AVPR1B P47901 7/20 0.43
OXTR P30559 4/20 0.43
AVPR1A P37288 4/20 0.43
IRAK4 Q9NWZ3 2/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
NPR1 P16066 3/20 0.41
KCNA5 P22460 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
SCHEMBL4184674 0.92 IRAK4 (0.47) USP2LMNACYP1A2CYP3A4MAPK1
SCHEMBL4178294 0.87 AVPR1B (0.52) ALDH1A1MAPTAVPR1BOXTRAVPR1A
SCHEMBL4184097 0.86 IRAK4 (0.47) ALDH1A1TSHRUSP2LMNACYP1A2
SCHEMBL4184276 0.86 GABBR2 (0.51) IRAK4NPR1
SCHEMBL4177693 0.85 HDAC8 (0.49) IRAK4NPR1
SCHEMBL4182949 0.84 IRAK4 (0.42) USP2LMNACYP1A2CYP3A4MAPK1
SCHEMBL4184296 0.83 NPR1 (0.46) USP2LMNACYP1A2CYP3A4MAPK1
SCHEMBL4191073 0.83 IRAK4 (0.47) USP2LMNACYP1A2CYP3A4MAPK1
SCHEMBL4176204 0.82 GABBR2 (0.45) USP2LMNACYP1A2CYP3A4MAPK1
SCHEMBL4177776 0.81 IRAK4 (0.42) ALDH1A1USP2LMNACYP1A2CYP3A4

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 ALDH1A1 2269/4885TSHR 991/4885USP2 2425/4885

“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.