SCHEMBL8167170

SCHEMBL8167170

CCO/C=N/c1c(C(=O)OCC)ncn1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 5/20 0.46
GABRB2 P47870 4/20 0.46
TP53 P04637 1/20 0.45
ALOX12 P18054 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GABRG2 P18507 4/20 0.42
GABRB3 P28472 4/20 0.42
GABRA5 P31644 4/20 0.42
GABRA1 P14867 1/20 0.42
GABRA3 P34903 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL8165718 0.79 TP53 (0.64) TP53ALOX12NPC1RAB9AKDM4E
SCHEMBL4963197 0.79 TP53 (0.58) GABRA2GABRB2TP53ALOX12NPC1
SCHEMBL69665 0.77 ALDH1A1 (0.56) GABRA2GABRB2TP53ALOX12NPC1
SCHEMBL1753102 0.76 ALDH1A1 (0.55) GABRA2GABRB2TP53ALOX12NPC1
SCHEMBL30707519 0.73 GABRA2 (0.50) GABRA2GABRB2TP53ALOX12NPC1
SCHEMBL20027968 0.71 ALDH1A1 (0.57) GABRA2GABRB2TP53ALOX12NPC1
SCHEMBL12156479 0.71 GABRA2 (0.47) GABRA2GABRB2TP53ALOX12NPC1
SCHEMBL12156478 0.71 ALDH1A1 (0.58) GABRA2GABRB2TP53ALOX12NPC1
SCHEMBL12864335 0.70 GABRA2 (0.46) GABRA2GABRB2TP53ALOX12NPC1
SCHEMBL20027601 0.69 ALDH1A1 (0.55) GABRA2GABRB2TP53ALOX12NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137340-A1 FUSED PYRIMIDINONE COMPOUNDS AS MGLUR LIGANDS GLATTHAR RALF 2010-06-03 US disclosed
US-20100137340-A1 FUSED PYRIMIDINONE COMPOUNDS AS MGLUR LIGANDS GLATTHAR RALF 2010-06-03 US disclosed
WO-2008107418-A1 FUSED PYRIMIDINONE COMPOUNDS AS MGLUR LIGANDS NOVARTIS AG (CH) 2008-09-12 WO 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-20100137340-A1 FUSED PYRIMIDINONE COMPOUNDS AS MGLUR LIGANDS GRM1, GRM2, GRM3 GABRA2 74/4885GABRB2 76/4885TP53 4882/4885

“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.