SCHEMBL2651669

SCHEMBL2651669

N#Cc1ccncc1-c1cc(Br)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.41
CYP11B2 P19099 6/20 0.41
GABRA1 P14867 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA5 P31644 3/20 0.38
GABRA3 P34903 3/20 0.38
CLK1 P49759 3/20 0.37
CLK2 P49760 3/20 0.37
DYRK1A Q13627 3/20 0.37
CLK4 Q9HAZ1 3/20 0.37
DYRK1B Q9Y463 3/20 0.37
KMT2A Q03164 2/20 0.36
SLC22A12 Q96S37 1/20 0.36
MEN1 O00255 1/20 0.36
CHUK O15111 1/20 0.36
GABRA2 P47869 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35

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
SCHEMBL2652917 0.88 GABRA1 (0.47) CYP11B1CYP11B2GABRA1GABRG2GABRB3
SCHEMBL19955395 0.84 CLK1 (0.47) CYP11B1CYP11B2GABRA1GABRG2GABRB3
SCHEMBL2651505 0.82 CYP11B2 (0.41) CYP11B1CYP11B2GABRA1GABRG2GABRB3
SCHEMBL19955394 0.78 CYP11B1 (0.49) CYP11B1CYP11B2KMT2ASLC22A12MEN1
SCHEMBL2648329 0.78 GABRA1 (0.44) CYP11B1CYP11B2GABRA1GABRG2GABRB3
SCHEMBL2648933 0.77 NUDT1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2648069 0.76 GABRA1 (0.45) CYP11B1CYP11B2GABRA1GABRG2GABRB3
SCHEMBL2652003 0.76 VCAM1 (0.44) KMT2ASLC22A12MEN1HTT
SCHEMBL2658711 0.76 GABRA1 (0.42) CYP11B1CYP11B2GABRA1GABRG2GABRB3
SCHEMBL2652308 0.74 GABRG2 (0.47) CYP11B1CYP11B2GABRA1GABRG2GABRB3

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-1381606-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-07-20 EP disclosed
US-6900215-B2 For therapy of disorders of central nervous system, including anxiety, convulsions and cognitive disorders MERCK SHARP & DOHME LTD. (GB) 2005-05-31 US disclosed
EP-1381606-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-21 EP disclosed
US-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME (UK) LIMITED (GB) 2002-12-19 US disclosed
WO-2002074773-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 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-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA2 CYP11B1 1108/4885CYP11B2 952/4885GABRA1 2/4885

“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.