SCHEMBL6450076

SCHEMBL6450076

c1ccc(-c2ncn(-c3ccccn3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.65
ALKBH2 Q6NS38 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
NOX4 Q9NPH5 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
SLC6A7 Q99884 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SLC11A2 P49281 1/20 0.38
HTT P42858 2/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
PLAUR Q03405 1/20 0.37
MEN1 O00255 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
SCHEMBL5205386 0.83 GRM5 (0.66) GRM5EGLN1ALDH1A1KDM4EBACE1
SCHEMBL182219 0.83 GRM5 (0.62) GRM5ALKBH2EGLN1ALDH1A1MAPK1
SCHEMBL7152205 0.82 GRM5 (0.54) GRM5ALKBH2EGLN1ALDH1A1MAPK1
SCHEMBL5201721 0.80 GRM5 (1.00) GRM5ALDH1A1MAPK1HSD17B10
SCHEMBL14764817 0.80 GRM5 (0.62) GRM5ALKBH2EGLN1ALDH1A1
SCHEMBL28543136 0.77 GRM5 (0.49) GRM5ALKBH2EGLN1PDCD1CD274
SCHEMBL458419 0.77 NPC1 (0.46) GRM5ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL6450046 0.77 GRM5 (0.49) GRM5ALKBH2EGLN1ALDH1A1MAPK1
SCHEMBL21863293 0.76 GRM5 (0.47) GRM5ALKBH2EGLN1ALDH1A1POLB
SCHEMBL2396469 0.74 CYP11B1 (0.44) GRM5ALDH1A1MAPK1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC GRM5 4040/4885ALKBH2 2636/4885EGLN1 1097/4885

“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.