SCHEMBL4173545

SCHEMBL4173545

O=S(=O)(CCc1cccc(-c2ccc3ncnc(NCCc4ccccc4)c3c2)c1)NC1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.49
CCNC P24863 1/20 0.48
CDKN1A P38936 1/20 0.48
CDK8 P49336 1/20 0.48
CDK19 Q9BWU1 1/20 0.48
MAPK1 P28482 8/20 0.48
LMNA P02545 8/20 0.48
EGFR P00533 2/20 0.48
APP P05067 1/20 0.48
HTT P42858 1/20 0.48
CLK4 Q9HAZ1 8/20 0.46
CYP1A2 P05177 8/20 0.46
CYP3A4 P08684 8/20 0.46
USP2 O75604 7/20 0.46
CYP2C19 P33261 5/20 0.46
FYN P06241 1/20 0.46
SRC P12931 1/20 0.46
ALDH1A1 P00352 6/20 0.46
CYP2D6 P10635 5/20 0.46
HIF1A Q16665 5/20 0.46

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 0.88 CYP1A2 (0.60) MAPK1LMNACLK4CYP1A2CYP3A4
SCHEMBL4185455 0.85 CYP1A2 (0.57) MAPK1LMNACLK4CYP1A2CYP3A4
SCHEMBL4183719 0.85 CLK4 (0.66) MAPK1LMNACLK4CYP1A2CYP3A4
SCHEMBL4180577 0.80 CLK4 (0.66) MAPK1LMNACLK4CYP1A2CYP3A4
SCHEMBL4173540 0.79 IRAK4 (0.49) DYRK1ACCNCCDKN1ACDK8CDK19
SCHEMBL4187778 0.78 DYRK1A (0.47) DYRK1ACCNCCDKN1ACDK8CDK19
SCHEMBL4183947 0.78 DYRK1A (0.47) DYRK1ACCNCCDKN1ACDK8CDK19
SCHEMBL4184099 0.77 NPR1 (0.45) MAPK1LMNACLK4CYP1A2CYP3A4
SCHEMBL4181108 0.77 IRAK4 (0.47) DYRK1ACCNCCDKN1ACDK8CDK19
SCHEMBL4180580 0.75 HDAC8 (0.47) DYRK1ACCNCCDKN1ACDK8CDK19

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 DYRK1A 3582/4885CCNC 4331/4885CDKN1A 3904/4885

“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.