SCHEMBL4190685

SCHEMBL4190685

COc1ccc(CNc2ncnc3ccc(-c4cccc(CN(C5CC5)S(=O)(=O)Cc5ccccc5)c4)cc23)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 18/20 0.62
CYP3A4 P08684 18/20 0.62
CLK4 Q9HAZ1 17/20 0.62
CYP2C19 P33261 16/20 0.62
CYP2D6 P10635 15/20 0.62
ALDH1A1 P00352 15/20 0.62
HSD17B10 Q99714 14/20 0.62
CYP2C9 P11712 13/20 0.62
TSHR P16473 11/20 0.62
LMNA P02545 14/20 0.61
USP2 O75604 14/20 0.61
MAPK1 P28482 12/20 0.61
HIF1A Q16665 10/20 0.61
HPGD P15428 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALOX15 P16050 4/20 0.56
THRB P10828 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56

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
SCHEMBL4182235 0.91 CYP1A2 (0.62) CYP1A2CYP3A4CLK4CYP2C19CYP2D6
SCHEMBL4180573 0.91 CLK4 (0.66) CYP1A2CYP3A4CLK4CYP2C19CYP2D6
SCHEMBL4190949 0.89 CLK4 (0.63) CYP1A2CYP3A4CLK4CYP2C19CYP2D6
SCHEMBL4178258 0.89 CLK4 (0.63) CYP1A2CYP3A4CLK4CYP2C19CYP2D6
SCHEMBL4191100 0.87 CLK4 (0.61) CYP1A2CYP3A4CLK4CYP2C19CYP2D6
SCHEMBL4172100 0.87 CLK4 (0.60) CYP1A2CYP3A4CLK4CYP2C19CYP2D6
SCHEMBL4184485 0.86 CYP1A2 (0.65) CYP1A2CYP3A4CLK4CYP2C19CYP2D6
SCHEMBL4185543 0.86 CLK4 (0.58) CYP1A2CYP3A4CLK4CYP2C19CYP2D6
SCHEMBL4184470 0.85 CLK4 (0.58) CYP1A2CYP3A4CLK4CYP2C19CYP2D6
SCHEMBL4177366 0.84 CYP1A2 (0.58) CYP1A2CYP3A4CLK4CYP2C19CYP2D6

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 4173/4885CLK4 3820/4885

“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.