SCHEMBL2652308

SCHEMBL2652308

N#Cc1cncnc1-c1cc(Br)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 5/20 0.47
GABRB3 P28472 5/20 0.47
GABRA1 P14867 4/20 0.47
GABRA3 P34903 4/20 0.47
CYP11B1 P15538 7/20 0.40
CYP11B2 P19099 7/20 0.40
GABRA5 P31644 4/20 0.35
VNN1 O95497 1/20 0.33
PDK1 Q15118 1/20 0.32
PTGES O14684 2/20 0.32
SLC22A12 Q96S37 1/20 0.32
GABRA2 P47869 1/20 0.32

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
SCHEMBL2652267 0.83 GABRA1 (0.47) GABRG2GABRB3GABRA1GABRA3CYP11B1
SCHEMBL2650903 0.78 GABRG2 (0.47) GABRG2GABRB3GABRA1GABRA3CYP11B1
SCHEMBL2652375 0.78 GABRA1 (0.43) GABRG2GABRB3GABRA1GABRA3
SCHEMBL2652917 0.77 GABRA1 (0.47) GABRG2GABRB3GABRA1GABRA3CYP11B1
SCHEMBL2651669 0.74 CYP11B1 (0.41) GABRG2GABRB3GABRA1GABRA3CYP11B1
SCHEMBL16822015 0.69 CYP11B1 (0.46) GABRG2GABRB3GABRA1GABRA3CYP11B1
SCHEMBL2648329 0.69 GABRA1 (0.44) GABRG2GABRB3GABRA1GABRA3CYP11B1
SCHEMBL27848361 0.69 CNR1 (0.38) GABRG2GABRB3GABRA1GABRA3SLC22A12
SCHEMBL80153 0.69 TRPV4 (0.43) CYP11B1CYP11B2
SCHEMBL29439602 0.69 TRPV4 (0.43) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343788-B1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-11-23 EP disclosed
US-6936608-B2 Imidazo-triazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. 2005-08-30 US disclosed
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-02-05 US disclosed
EP-1343788-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2003-09-17 EP disclosed
WO-2002038568-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-16 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-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors GABRA2, GABRA5, GABRA1 GABRG2 14/4885GABRB3 9/4885GABRA1 3/4885

“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.