SCHEMBL4176703

SCHEMBL4176703

Nc1nc(C2CC2)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 1/20 0.55
OGG1 O15527 1/20 0.53
PDE5A O76074 2/20 0.49
ACHE P22303 2/20 0.49
BCHE P06276 1/20 0.49
HSD17B10 Q99714 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
CYP1A2 P05177 2/20 0.47
NUDT1 P36639 1/20 0.47
KDM4E B2RXH2 5/20 0.45
MAPK1 P28482 3/20 0.45
GLA P06280 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
NQO2 P16083 1/20 0.45

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
SCHEMBL30918000 1.00 DCPS (0.55) DCPSOGG1PDE5AACHEBCHE
SCHEMBL5314315 0.89 DCPS (0.47) DCPSOGG1PDE5AACHEBCHE
SCHEMBL31579478 0.87 HTR3A (0.56) DCPSOGG1PDE5AHSD17B10ALDH1A1
SCHEMBL16822625 0.82 ALDH1A1 (0.47) DCPSOGG1PDE5AACHEBCHE
SCHEMBL26318806 0.81 OGG1 (0.55) OGG1PDE5AACHEBCHEHSD17B10
SCHEMBL29937865 0.78 GBA1 (0.42) DCPSOGG1PDE5AHSD17B10ALDH1A1
SCHEMBL31391596 0.78 OGG1 (0.53) OGG1PDE5AACHEBCHEHSD17B10
SCHEMBL16404345 0.78 OGG1 (0.53) OGG1PDE5AACHEBCHEKDM4E
SCHEMBL1369246 0.78 OGG1 (0.53) OGG1PDE5AACHEBCHEKDM4E
SCHEMBL31052845 0.78 OGG1 (0.53) OGG1PDE5AACHEBCHEKDM4E

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 1 patent. 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 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 DCPS 1621/4885OGG1 3665/4885PDE5A 1700/4885

“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.