SCHEMBL4177224

SCHEMBL4177224

O=C(c1cccs1)N(Cc1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 11/20 0.52
CYP1A2 P05177 7/20 0.52
USP2 O75604 6/20 0.52
CLK4 Q9HAZ1 6/20 0.52
CYP3A4 P08684 5/20 0.52
MAP4K4 O95819 2/20 0.51
CYP2C19 P33261 3/20 0.50
LMNA P02545 3/20 0.50
MAPK1 P28482 3/20 0.50
ALDH1A1 P00352 3/20 0.48
TSHR P16473 3/20 0.48
CYP2D6 P10635 2/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL4167451 0.89 IRAK4 (0.50) IRAK4CYP1A2USP2CLK4CYP3A4
SCHEMBL4188278 0.88 IRAK4 (0.52) IRAK4CYP1A2USP2CLK4CYP3A4
SCHEMBL4173626 0.88 CYP1A2 (0.50) IRAK4CYP1A2USP2CLK4CYP3A4
SCHEMBL4173517 0.88 IRAK4 (0.44) IRAK4CYP1A2USP2CLK4CYP3A4
SCHEMBL4177286 0.87 IRAK4 (0.57) IRAK4CYP1A2USP2CLK4CYP3A4
SCHEMBL4170508 0.87 IRAK4 (0.60) IRAK4CYP1A2USP2CLK4CYP3A4
SCHEMBL4191350 0.87 OPRM1 (0.47) IRAK4CYP1A2USP2CLK4CYP3A4
SCHEMBL4185074 0.87 OPRM1 (0.44) IRAK4CYP1A2USP2CLK4CYP3A4
SCHEMBL4191106 0.87 NPR1 (0.43) IRAK4
SCHEMBL4173066 0.87 IRAK4 (0.61) IRAK4CYP1A2USP2CLK4CYP3A4

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 2 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

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 IRAK4 864/4885CYP1A2 4353/4885USP2 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.