SCHEMBL4184012

SCHEMBL4184012

c1ccc(CNCc2cccc(-c3ccc4ncnc(NC5CC5)c4c3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.65
IRAK4 Q9NWZ3 3/20 0.63
CYP1A2 P05177 15/20 0.61
CYP3A4 P08684 14/20 0.61
CLK4 Q9HAZ1 13/20 0.61
CYP2C19 P33261 12/20 0.61
USP2 O75604 11/20 0.61
LMNA P02545 10/20 0.61
CYP2D6 P10635 10/20 0.61
MAPK1 P28482 8/20 0.61
TSHR P16473 6/20 0.61
ALDH1A1 P00352 5/20 0.61
ALOX15 P16050 3/20 0.61
HSD17B10 Q99714 7/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 2/20 0.54
HIF1A Q16665 3/20 0.53
CYP2C9 P11712 2/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL4187112 0.92 MAP4K4 (0.60) MAP4K4IRAK4CYP1A2CYP3A4CLK4
SCHEMBL4173757 0.89 MAP4K4 (0.62) MAP4K4IRAK4CYP1A2CYP3A4CLK4
SCHEMBL4173751 0.89 MAP4K4 (0.67) MAP4K4IRAK4CYP1A2CYP3A4CLK4
SCHEMBL4167156 0.88 MAP4K4 (0.64) MAP4K4IRAK4CYP1A2CYP3A4CLK4
SCHEMBL4176068 0.88 MAP4K4 (0.66) MAP4K4IRAK4CYP1A2CYP3A4CLK4
SCHEMBL4177139 0.87 MAP4K4 (0.60) MAP4K4IRAK4CYP1A2CYP3A4CLK4
SCHEMBL4170489 0.86 MAP4K4 (0.59) MAP4K4IRAK4CYP1A2CYP3A4CLK4
SCHEMBL4654317 0.86 MAP4K4 (0.61) MAP4K4IRAK4CYP1A2CYP3A4CLK4
Hydrochloric Acid SCHEMBL4168831 0.86 MAP4K4 (0.56) MAP4K4IRAK4CYP1A2CYP3A4CLK4
SCHEMBL4654469 0.86 MAP4K4 (0.56) MAP4K4IRAK4CYP1A2CYP3A4CLK4

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 MAP4K4 1662/4885IRAK4 864/4885CYP1A2 4353/4885

“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.