SCHEMBL4180304

SCHEMBL4180304

O=C1CCCC(=O)N1Cc1cc(-c2ccc3ncnc(NC4CC4)c3c2)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CD38 P28907 5/20 0.52
MAP4K4 O95819 2/20 0.52
CYP1A2 P05177 7/20 0.49
CYP3A4 P08684 7/20 0.49
USP2 O75604 6/20 0.49
CLK4 Q9HAZ1 6/20 0.49
IRAK4 Q9NWZ3 6/20 0.49
CYP2C19 P33261 5/20 0.49
MAPK1 P28482 4/20 0.49
CYP2D6 P10635 4/20 0.49
LMNA P02545 3/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ALOX15 P16050 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL4177017 0.96 MAP4K4 (0.53) CD38MAP4K4CYP1A2CYP3A4USP2
SCHEMBL4178060 0.91 IRAK4 (0.52) CD38MAP4K4CYP1A2CYP3A4USP2
SCHEMBL4169415 0.88 MAP4K4 (0.53) CD38MAP4K4CYP1A2CYP3A4USP2
SCHEMBL4176710 0.83 MAP4K4 (0.58) CD38MAP4K4CYP1A2CYP3A4USP2
SCHEMBL4191118 0.82 CYP1A2 (0.50) CD38MAP4K4CYP1A2CYP3A4USP2
SCHEMBL4178926 0.81 MAP4K4 (0.62) CD38MAP4K4CYP1A2CYP3A4USP2
SCHEMBL4169484 0.81 IRAK4 (0.59) CD38MAP4K4CYP1A2CYP3A4USP2
SCHEMBL4173804 0.79 MAP4K4 (0.60) CD38MAP4K4CYP1A2CYP3A4USP2
SCHEMBL4183733 0.79 MAP4K4 (0.60) MAP4K4CYP1A2CYP3A4USP2CLK4
SCHEMBL4176643 0.78 CYP1A2 (0.53) CD38MAP4K4CYP1A2CYP3A4USP2

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 CD38 3184/4885MAP4K4 1662/4885CYP1A2 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.