SCHEMBL4190664

SCHEMBL4190664

CC(C)(C)Nc1ncnc2ccc(-c3ccc(F)c(CN(C(=O)c4cccs4)C4CC4)c3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.42
CYP2C19 P33261 8/20 0.42
CLK4 Q9HAZ1 7/20 0.42
CYP3A4 P08684 7/20 0.42
CYP2D6 P10635 7/20 0.42
USP2 O75604 6/20 0.42
LMNA P02545 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPK1 P28482 3/20 0.42
APEX1 P27695 1/20 0.42
CASP7 P55210 1/20 0.42
CD38 P28907 1/20 0.42
PDPK1 O15530 1/20 0.40
TSHR P16473 4/20 0.40
CYP2C9 P11712 4/20 0.40
IRAK4 Q9NWZ3 6/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
CCNE2 O96020 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
SCHEMBL4167294 0.87 CYP3A4 (0.43) CYP1A2CYP2C19CLK4CYP3A4CYP2D6
SCHEMBL4173806 0.87 CYP1A2 (0.45) CYP1A2CYP2C19CLK4CYP3A4CYP2D6
SCHEMBL4180096 0.86 IRAK4 (0.44) CYP1A2CYP2C19CLK4CYP3A4CYP2D6
SCHEMBL4180757 0.86 IRAK4 (0.43) CYP1A2CYP2C19CLK4CYP3A4CYP2D6
SCHEMBL4184788 0.86 IRAK4 (0.44) CYP1A2CYP2C19CLK4CYP3A4CYP2D6
SCHEMBL4178119 0.85 IRAK4 (0.43) CYP1A2CLK4CYP3A4USP2ALDH1A1
SCHEMBL4176574 0.85 CLK4 (0.41) CYP1A2CYP2C19CLK4CYP3A4CYP2D6
SCHEMBL4179016 0.85 PDPK1 (0.42) CYP1A2CYP2C19CLK4CYP3A4CYP2D6
SCHEMBL4171871 0.85 CYP1A2 (0.42) CYP1A2CYP2C19CLK4CYP3A4CYP2D6
SCHEMBL4176280 0.85 IRAK4 (0.42) CYP1A2CYP2C19CLK4CYP3A4CYP2D6

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
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

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 CYP1A2 4353/4885CYP2C19 4232/4885CLK4 3820/4885

“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.