SCHEMBL4177795

SCHEMBL4177795

Cc1cc2ncnc(NC3CC3)c2cc1-c1cccc(CCS(=O)(=O)NC2CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.48
CYP3A4 P08684 8/20 0.48
CYP2C19 P33261 8/20 0.48
USP2 O75604 7/20 0.48
CLK4 Q9HAZ1 7/20 0.48
LMNA P02545 6/20 0.48
CYP2D6 P10635 6/20 0.48
TSHR P16473 5/20 0.48
MAPK1 P28482 2/20 0.46
IRAK4 Q9NWZ3 8/20 0.44
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
MAP4K4 O95819 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NSD2 O96028 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4178685 0.86 CYP1A2 (0.60) CYP1A2CYP3A4CYP2C19USP2CLK4
SCHEMBL4185455 0.83 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19USP2CLK4
SCHEMBL4177793 0.80 IRAK4 (0.52) CYP1A2CYP3A4CYP2C19USP2CLK4
SCHEMBL4190984 0.79 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19USP2CLK4
SCHEMBL4177625 0.78 IRAK4 (0.49) CYP1A2CYP3A4CYP2C19USP2CLK4
SCHEMBL4191622 0.78 IRAK4 (0.49) CYP1A2CYP3A4CYP2C19USP2CLK4
SCHEMBL4188540 0.78 IRAK4 (0.49) CYP1A2CYP3A4CYP2C19USP2CLK4
SCHEMBL4173788 0.77 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19USP2CLK4
SCHEMBL4167440 0.77 IRAK4 (0.49) CYP1A2CYP3A4CYP2C19USP2CLK4
SCHEMBL4174705 0.77 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C19USP2CLK4

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 CYP1A2 4353/4885CYP3A4 4173/4885CYP2C19 4232/4885

“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.