SCHEMBL4174591

SCHEMBL4174591

CC(C)(C)Nc1ncnc2ccc(-c3ccc(F)c(CN(C4CC4)S(=O)(=O)c4cccc(C(F)(F)F)c4)c3)cc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.43
IRAK4 Q9NWZ3 9/20 0.40
LMNA P02545 2/20 0.39
BRAF P15056 2/20 0.39
CD38 P28907 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
RAF1 P04049 1/20 0.38
AVPR1B P47901 1/20 0.37
CCRL2 O00421 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL4177638 0.92 IRAK4 (0.44) RORCIRAK4LMNABRAFCD38
SCHEMBL4180129 0.90 IRAK4 (0.51) IRAK4LMNACYP1A2CYP3A4CYP2C19
SCHEMBL4187250 0.86 IRAK4 (0.42) IRAK4LMNACD38CYP1A2CYP3A4
SCHEMBL4177915 0.86 CD38 (0.44) IRAK4LMNACD38CYP1A2CYP3A4
SCHEMBL4185523 0.86 AVPR1B (0.52) RORCIRAK4LMNACD38CYP1A2
SCHEMBL4177712 0.84 CD38 (0.42) IRAK4LMNACD38CYP1A2CYP3A4
SCHEMBL4173135 0.84 PDPK1 (0.39) IRAK4LMNACD38CYP1A2CYP3A4
SCHEMBL4180045 0.83 CCRL2 (0.41) IRAK4LMNABRAFCD38CYP1A2
SCHEMBL4181044 0.83 CD38 (0.44) IRAK4LMNACD38CYP1A2CYP3A4
SCHEMBL4181841 0.83 RORC (0.43) RORCIRAK4BRAFCD38RAF1

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 4 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
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 RORC 1045/4885IRAK4 864/4885LMNA 4687/4885

“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.