Sugi Predict

Sugi Predict / Compounds / SCHEMBL4180812

SCHEMBL4180812

SCHEMBL4180812

CC(=O)N(Cc1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1)Cc1ccco1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 9/20 0.54
▸ CLK4 Q9HAZ1 9/20 0.54
▸ CYP3A4 P08684 8/20 0.54
▸ USP2 O75604 7/20 0.54
▸ MAP4K4 O95819 2/20 0.51
▸ CYP2C19 P33261 6/20 0.51
▸ MAPK1 P28482 5/20 0.51
▸ LMNA P02545 5/20 0.51
▸ CYP2D6 P10635 5/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ TSHR P16473 3/20 0.51
▸ ALOX15 P16050 2/20 0.51
▸ IRAK4 Q9NWZ3 6/20 0.50
▸ PIK3CD O00329 1/20 0.50
▸ HSD17B10 Q99714 4/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HIF1A Q16665 1/20 0.47

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
SCHEMBL4177504 0.89 IRAK4 (0.60) CYP1A2CLK4CYP3A4USP2MAP4K4
Hydrochloric Acid SCHEMBL4187802 0.89 IRAK4 (0.59) CYP1A2CLK4CYP3A4USP2MAP4K4
SCHEMBL4188262 0.88 CYP1A2 (0.59) CYP1A2CLK4CYP3A4USP2MAP4K4
SCHEMBL4173902 0.86 CLK4 (0.56) CYP1A2CLK4CYP3A4USP2MAP4K4
Hydrochloric Acid SCHEMBL4173687 0.85 CYP1A2 (0.56) CYP1A2CLK4CYP3A4USP2MAP4K4
SCHEMBL4185275 0.85 CYP1A2 (0.59) CYP1A2CLK4CYP3A4USP2MAP4K4
SCHEMBL4183840 0.84 CYP1A2 (0.55) CYP1A2CLK4CYP3A4USP2MAP4K4
SCHEMBL4171393 0.84 CYP1A2 (0.55) CYP1A2CLK4CYP3A4USP2MAP4K4
SCHEMBL4177118 0.84 CYP1A2 (0.55) CYP1A2CLK4CYP3A4USP2MAP4K4
SCHEMBL4170358 0.84 IRAK4 (0.56) CYP1A2CLK4CYP3A4USP2MAP4K4

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 CYP1A2 4353/4885CLK4 3820/4885CYP3A4 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.