SCHEMBL2651801

SCHEMBL2651801

N#Cc1ncccc1-c1cc(Br)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.37
HTT P42858 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
BACE1 P56817 1/20 0.36
HPGD P15428 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
PTPRC P08575 1/20 0.34
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
NPC1 O15118 2/20 0.33

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
SCHEMBL2659230 0.88 ALOX5AP (0.39) CYP11B2HTTCYP1A2CYP2C19BACE1
SCHEMBL6217239 0.82 BACE1 (0.40) CYP11B2HTTBACE1HPGDKDM4E
SCHEMBL2650903 0.78 GABRG2 (0.47) CYP11B2HTTCYP1A2CYP2C19HPGD
SCHEMBL6217241 0.76 MAPT (0.48) BACE1ALDH1A1MAPTPTPRCNPC1
SCHEMBL406027 0.76 CYP11B2 (0.43) CYP11B2BACE1MAPTALOX5APFEN1
SCHEMBL22290166 0.76 ERBB2 (0.45) CYP11B2HTTHPGDKDM4EALDH1A1
SCHEMBL2648329 0.74 GABRA1 (0.44) CYP11B2CYP1A2HPGDSMN1; SMN2MEN1
SCHEMBL506689 0.74
SCHEMBL6220477 0.73 HTT (0.41) HTTCYP1A2CYP2C19HPGDSMN1; SMN2
SCHEMBL2650208 0.73 GABRA5 (0.45) HTTCYP1A2HPGDKDM4EALDH1A1

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 CYP11B2 952/4885HTT 3992/4885CYP1A2 303/4885

“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.