SCHEMBL4184445

SCHEMBL4184445

COc1ccc(C(=O)NCc2cccc(-c3ccc4ncnc(NC5CC5)c4c3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 9/20 0.64
CYP1A2 P05177 8/20 0.64
CYP3A4 P08684 8/20 0.64
LMNA P02545 6/20 0.64
CYP2C19 P33261 6/20 0.64
USP2 O75604 6/20 0.64
CYP2D6 P10635 5/20 0.64
MAPK1 P28482 4/20 0.64
ALDH1A1 P00352 4/20 0.64
TSHR P16473 3/20 0.64
ALOX15 P16050 2/20 0.64
HSD17B10 Q99714 4/20 0.57
KDM4E B2RXH2 2/20 0.57
MAP4K4 O95819 2/20 0.52
CHRM3 P20309 1/20 0.51
CYP2C9 P11712 2/20 0.50
PDGFRB P09619 1/20 0.50
FLT4 P35916 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL4174529 0.90 CYP1A2 (0.57) CLK4CYP1A2CYP3A4LMNACYP2C19
SCHEMBL4183939 0.90 CYP1A2 (0.57) CLK4CYP1A2CYP3A4LMNACYP2C19
SCHEMBL4190940 0.89 MAP4K4 (0.57) CLK4CYP1A2CYP3A4LMNACYP2C19
SCHEMBL4185120 0.89 MAP4K4 (0.62) CLK4CYP1A2CYP3A4LMNACYP2C19
SCHEMBL4183824 0.88 MAP4K4 (0.55) CLK4CYP1A2CYP3A4LMNACYP2C19
SCHEMBL4180088 0.86 CYP1A2 (0.58) CLK4CYP1A2CYP3A4LMNACYP2C19
SCHEMBL4191195 0.84 MAP4K4 (0.56) CLK4CYP1A2CYP3A4LMNACYP2C19
SCHEMBL4184891 0.84 MAP4K4 (0.60) CLK4CYP1A2CYP3A4LMNACYP2C19
SCHEMBL4167342 0.83 MAP4K4 (0.52) CLK4CYP1A2CYP3A4LMNACYP2C19
SCHEMBL4170390 0.83 CLK4 (0.57) CLK4CYP1A2CYP3A4LMNACYP2C19

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 CLK4 3820/4885CYP1A2 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.