SCHEMBL4178926

SCHEMBL4178926

OCc1cc(-c2ccc3ncnc(NC4CC4)c3c2)ccc1F

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.62
CYP1A2 P05177 7/20 0.59
CYP3A4 P08684 7/20 0.59
USP2 O75604 6/20 0.59
CLK4 Q9HAZ1 6/20 0.59
CYP2D6 P10635 5/20 0.59
CYP2C19 P33261 5/20 0.59
MAPK1 P28482 3/20 0.59
LMNA P02545 3/20 0.59
HSD17B10 Q99714 2/20 0.59
ALDH1A1 P00352 2/20 0.59
ALOX15 P16050 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
IRAK4 Q9NWZ3 10/20 0.58
TSHR P16473 3/20 0.56
CD38 P28907 1/20 0.55
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL4173804 0.88 MAP4K4 (0.60) MAP4K4CYP1A2CYP3A4USP2CLK4
SCHEMBL4191150 0.85 CYP1A2 (0.56) MAP4K4CYP1A2CYP3A4USP2CLK4
SCHEMBL4177017 0.83 MAP4K4 (0.53) MAP4K4CYP1A2CYP3A4USP2CLK4
SCHEMBL4169415 0.83 MAP4K4 (0.53) MAP4K4CYP1A2CYP3A4USP2CLK4
SCHEMBL4176798 0.83 IRAK4 (0.58) CYP1A2CYP3A4USP2CLK4CYP2D6
SCHEMBL4354726 0.82 CYP1A2 (0.70) MAP4K4CYP1A2CYP3A4USP2CLK4
SCHEMBL4178247 0.82 MAP4K4 (0.53) MAP4K4CYP1A2CYP3A4USP2CLK4
SCHEMBL4188503 0.82 CYP1A2 (0.56) MAP4K4CYP1A2CYP3A4USP2CLK4
SCHEMBL4180304 0.81 CD38 (0.52) MAP4K4CYP1A2CYP3A4USP2CLK4
SCHEMBL4167241 0.81 IRAK4 (0.54) MAP4K4CYP1A2CYP3A4USP2CLK4

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 disclosed
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
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
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 MAP4K4 1662/4885CYP1A2 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.