SCHEMBL2659865

SCHEMBL2659865

CC(Oc1nc2c(nnn2-c2ccccc2)c2ccccc12)c1nc[nH]n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
SLC2A1 P11166 1/20 0.32
SLC2A2 P11168 1/20 0.32
SLC2A3 P11169 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30

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
SCHEMBL2658762 0.68 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2659863 0.67 GABRA1 (0.42) SLC2A1SLC2A2SLC2A3GABRA1GABRG2
SCHEMBL6068706 0.66 POLB (0.36) NPSR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL7246414 0.65
SCHEMBL2658431 0.65 GABRA1 (0.37) SLC2A1SLC2A2SLC2A3GABRA1GABRG2
SCHEMBL2659911 0.65 KCNN4 (0.32)
SCHEMBL7237121 0.64 GABRA1 (0.44) SLC2A1SLC2A2SLC2A3GABRA1GABRG2
SCHEMBL11034818 0.60 SLC2A1 (0.42) NPSR1SLC2A1SLC2A2SLC2A3NPC1
SCHEMBL6990798 0.60 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6528911 0.59 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073717-A1 Triazolo-pyridine derivatives as ligands for GABA receptors MERCK & CO., INC. 2003-04-17 US claimed
EP-1087968-A1 TRIAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2001-04-04 EP claimed
WO-1999065904-A1 TRIAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-12-23 WO claimed
US-20030073717-A1 Triazolo-pyridine derivatives as ligands for GABA receptors MERCK & CO., INC. 2003-04-17 US disclosed
US-6479506-B1 USEFUL IN THE THERAPY OF DELETERIOUS MENTAL STATES SUCH AS ANXIETY MERCK SHARP & DOHME LTD. (GB) 2002-11-12 US disclosed
EP-1087968-A1 TRIAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2001-04-04 EP disclosed
WO-1999065904-A1 TRIAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-12-23 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-20030073717-A1 Triazolo-pyridine derivatives as ligands for GABA receptors GABRA3, GABRA4, GABRA5 NPSR1 64/4885SLC2A1 4085/4885SLC2A2 4046/4885

“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.