SCHEMBL4174705

SCHEMBL4174705

COc1ccc(CCS(=O)(=O)NC2CC2)cc1-c1ccc2ncnc(NC3CC3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 13/20 0.62
CYP2C19 P33261 12/20 0.62
CYP3A4 P08684 12/20 0.62
CYP2D6 P10635 10/20 0.62
USP2 O75604 10/20 0.62
CLK4 Q9HAZ1 10/20 0.62
LMNA P02545 10/20 0.62
TSHR P16473 6/20 0.62
HSD17B10 Q99714 6/20 0.55
ALDH1A1 P00352 5/20 0.55
IRAK4 Q9NWZ3 5/20 0.53
MAPK1 P28482 7/20 0.50
ALOX15 P16050 1/20 0.50
KDM4E B2RXH2 3/20 0.47
CYP2C9 P11712 2/20 0.46
HIF1A Q16665 2/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CD38 P28907 1/20 0.45
PIK3CA P42336 1/20 0.44

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
SCHEMBL4191093 0.82 CYP1A2 (0.70) CYP1A2CYP2C19CYP3A4CYP2D6USP2
SCHEMBL4178685 0.82 CYP1A2 (0.60) CYP1A2CYP2C19CYP3A4CYP2D6USP2
SCHEMBL4174702 0.81 CYP1A2 (0.60) CYP1A2CYP2C19CYP3A4CYP2D6USP2
SCHEMBL4185455 0.80 CYP1A2 (0.57) CYP1A2CYP2C19CYP3A4CYP2D6USP2
SCHEMBL4191167 0.78 CYP1A2 (0.60) CYP1A2CYP2C19CYP3A4CYP2D6USP2
SCHEMBL4177795 0.77 CYP1A2 (0.48) CYP1A2CYP2C19CYP3A4CYP2D6USP2
SCHEMBL4184147 0.77 CYP1A2 (0.48) CYP1A2CYP2C19CYP3A4CYP2D6USP2
SCHEMBL4178247 0.76 MAP4K4 (0.53) CYP1A2CYP2C19CYP3A4CYP2D6USP2
SCHEMBL4355305 0.75 CYP1A2 (0.74) CYP1A2CYP2C19CYP3A4CYP2D6USP2
SCHEMBL4180577 0.75 CLK4 (0.66) CYP1A2CYP2C19CYP3A4CYP2D6USP2

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 4353/4885CYP2C19 4232/4885CYP3A4 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.