SCHEMBL4184099

SCHEMBL4184099

Cc1nc(NC2CC2)c2cc(-c3cccc(CCS(=O)(=O)NC4CC4)c3)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPR1 P16066 9/20 0.45
GABBR2 O75899 5/20 0.44
GABBR1 Q9UBS5 5/20 0.44
USP2 O75604 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C19 P33261 3/20 0.44
CLK4 Q9HAZ1 3/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
MAP4K4 O95819 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40

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 0.84 CYP1A2 (0.60) USP2CYP1A2CYP3A4CYP2C19CLK4
SCHEMBL4174678 0.84 GABBR2 (0.41) NPR1GABBR2GABBR1USP2CYP1A2
SCHEMBL4185455 0.82 CYP1A2 (0.57) USP2CYP1A2CYP3A4CYP2C19CLK4
SCHEMBL4184097 0.79 IRAK4 (0.47) NPR1GABBR2GABBR1USP2CYP1A2
SCHEMBL4186187 0.78 NPR1 (0.45) NPR1GABBR2GABBR1USP2CYP1A2
SCHEMBL4184296 0.77 NPR1 (0.46) NPR1GABBR2GABBR1USP2CYP1A2
SCHEMBL4184674 0.77 IRAK4 (0.47) NPR1GABBR2GABBR1USP2CYP1A2
SCHEMBL4191073 0.77 IRAK4 (0.47) NPR1GABBR2GABBR1USP2CYP1A2
SCHEMBL4173545 0.77 DYRK1A (0.49) USP2CYP1A2CYP3A4CYP2C19CLK4
SCHEMBL4177795 0.77 CYP1A2 (0.48) USP2CYP1A2CYP3A4CYP2C19CLK4

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 NPR1 645/4885GABBR2 85/4885GABBR1 95/4885

“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.