SCHEMBL4181041

SCHEMBL4181041

COc1ccc(S(=O)(=O)N(Cc2cccc(-c3cc(F)c4ncnc(NC5CC5)c4c3)c2)C2CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
MAPK1 P28482 3/20 0.44
CYP2C19 P33261 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
USP2 O75604 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
IRAK4 Q9NWZ3 8/20 0.43
AVPR1B P47901 3/20 0.43
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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 0.91 IRAK4 (0.45) LMNACYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL4173784 0.86 IRAK4 (0.46) LMNACYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL4184761 0.86 IRAK4 (0.41) LMNACYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL4175263 0.86 HDAC6 (0.49) LMNACYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL4181678 0.84 IRAK4 (0.44) LMNACYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL4188543 0.84 IRAK4 (0.41) LMNACYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL4181855 0.83 IRAK4 (0.45) LMNACYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL4167314 0.82 MAP4K4 (0.42) LMNACYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL4189142 0.82 IRAK4 (0.48) LMNACYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL4181009 0.82 IRAK4 (0.39) LMNACYP1A2CYP3A4MAPK1CYP2C19

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 LMNA 4687/4885CYP1A2 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.