SCHEMBL4187301

SCHEMBL4187301

COc1ccc(CNc2ncnc3ccc(-c4cccc(CN(C(=O)c5cccnc5)C5CC5)c4)cc23)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 20/20 0.65
CYP3A4 P08684 20/20 0.65
CYP2C19 P33261 18/20 0.65
HSD17B10 Q99714 16/20 0.65
CYP2D6 P10635 16/20 0.65
CLK4 Q9HAZ1 15/20 0.65
USP2 O75604 13/20 0.65
LMNA P02545 12/20 0.65
MAPK1 P28482 12/20 0.65
ALDH1A1 P00352 15/20 0.58
CYP2C9 P11712 12/20 0.58
TSHR P16473 10/20 0.58
HIF1A Q16665 8/20 0.55
HPGD P15428 5/20 0.53
KDM4E B2RXH2 3/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
ALOX15 P16050 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
THRB P10828 1/20 0.51

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
SCHEMBL4169194 0.93 CYP1A2 (0.63) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL4184485 0.93 CYP1A2 (0.65) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL4173791 0.90 CLK4 (0.59) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL4173793 0.90 CYP1A2 (0.63) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL4171154 0.89 CYP1A2 (0.60) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL4169229 0.89 CLK4 (0.60) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL4178598 0.89 CLK4 (0.58) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL4182496 0.88 CLK4 (0.66) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL4177471 0.87 CLK4 (0.59) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL4177494 0.87 CLK4 (0.61) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6

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 CYP1A2 4353/4885CYP3A4 4173/4885CYP2C19 4232/4885

“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.