SCHEMBL4172996

SCHEMBL4172996

O=C(NCc1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1)c1ccc(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.52
CLK4 Q9HAZ1 11/20 0.49
USP2 O75604 6/20 0.49
CYP1A2 P05177 6/20 0.49
CYP3A4 P08684 6/20 0.49
LMNA P02545 4/20 0.49
CYP2C19 P33261 4/20 0.49
MAPK1 P28482 4/20 0.49
CYP2D6 P10635 3/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ALOX15 P16050 2/20 0.49
IRAK4 Q9NWZ3 7/20 0.47
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CLK1 P49759 1/20 0.45

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
SCHEMBL4177440 0.90 IRAK4 (0.49) MAP4K4CLK4USP2CYP1A2CYP3A4
SCHEMBL4175238 0.85 MAP4K4 (0.54) MAP4K4CLK4USP2CYP1A2CYP3A4
SCHEMBL4185146 0.84 MAP4K4 (0.58) MAP4K4CLK4USP2CYP1A2CYP3A4
SCHEMBL4188411 0.84 MAP4K4 (0.53) MAP4K4CLK4USP2CYP1A2CYP3A4
SCHEMBL4180541 0.84 CYP1A2 (0.59) MAP4K4CLK4USP2CYP1A2CYP3A4
SCHEMBL4190940 0.84 MAP4K4 (0.57) MAP4K4CLK4USP2CYP1A2CYP3A4
SCHEMBL4654317 0.83 MAP4K4 (0.61) MAP4K4CLK4USP2CYP1A2CYP3A4
SCHEMBL4183798 0.83 IRAK4 (0.51) MAP4K4CLK4USP2CYP1A2CYP3A4
SCHEMBL4184891 0.82 MAP4K4 (0.60) MAP4K4CLK4USP2CYP1A2CYP3A4
SCHEMBL11906177 0.82 PDPK1 (0.61) MAP4K4

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
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

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 1662/4885CLK4 3820/4885USP2 2425/4885

“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.