SCHEMBL6217239

SCHEMBL6217239

N#Cc1ncccc1-c1cc(N)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
ALOX5AP P20292 5/20 0.38
FEN1 P39748 5/20 0.38
MAP4K4 O95819 2/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
BRD4 O60885 1/20 0.37
CYP11B2 P19099 1/20 0.37
TP53 P04637 2/20 0.37
TSHR P16473 2/20 0.37
HTT P42858 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL2657932 0.88 ALOX5AP (0.43) BACE1ALOX5APFEN1MAP4K4ALDH1A1
SCHEMBL7086284 0.84 MAP4K4 (0.39) BACE1ALOX5APFEN1MAP4K4ALDH1A1
SCHEMBL2651801 0.82 CYP11B2 (0.37) BACE1ALOX5APFEN1ALDH1A1SMN1; SMN2
SCHEMBL2649411 0.78 GABRG2 (0.45) ALOX5APFEN1MAP4K4ALDH1A1SMN1; SMN2
SCHEMBL6217241 0.76 MAPT (0.48) BACE1ALDH1A1GAAMAPTIDO1
SCHEMBL406027 0.76 CYP11B2 (0.43) BACE1ALOX5APFEN1CYP11B2MAPT
SCHEMBL2651126 0.74 ALOX5AP (0.44) ALOX5APFEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2651950 0.73 MAP4K4 (0.44) BACE1MAP4K4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2648001 0.73 ADORA1 (0.42) ALDH1A1SMN1; SMN2KDM4EHPGDGLA
SCHEMBL2659230 0.73 ALOX5AP (0.39) BACE1ALOX5APFEN1ALDH1A1SMN1; SMN2

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
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
US-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME (UK) LIMITED (GB) 2002-12-19 US 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 BACE1 1046/4885ALOX5AP 3976/4885FEN1 2493/4885

“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.