SCHEMBL6243278

SCHEMBL6243278

N#Cc1cccc(C(=O)N2C=Cc3cnc(Br)cc3C2)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.39
GSK3B P49841 2/20 0.39
NAMPT P43490 2/20 0.39
GRM5 P41594 7/20 0.38
VNN1 O95497 4/20 0.37
SLC6A7 Q99884 1/20 0.36
ADORA2A P29274 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
SCHEMBL6178079 0.84 GSK3B (0.41) ELANEGSK3BNAMPTGRM5
SCHEMBL6248270 0.80 VNN1 (0.41) ELANENAMPTGRM5VNN1ADORA2A
SCHEMBL6246189 0.74 CA1 (0.46)
SCHEMBL5697248 0.73 GRM5 (0.39) GSK3BNAMPTGRM5VNN1
SCHEMBL6181453 0.71 GPR183 (0.41) GSK3BNAMPTSLC6A7
SCHEMBL27924000 0.66 NAMPT (0.63) GSK3BNAMPTGRM5
SCHEMBL2320890 0.65 GRM5 (0.57) NAMPTGRM5SLC6A7
SCHEMBL2760493 0.65 NAMPT (0.53) GSK3BNAMPTGRM5SLC6A7
SCHEMBL3634940 0.65 HPGD (0.60) NAMPTADORA2A
SCHEMBL2740504 0.64 SIGMAR1 (0.61) GSK3BNAMPTGRM5SLC6A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6977261-B2 Azaisoquinoline derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-12-20 US disclosed
EP-1539709-A1 AZAISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-06-15 EP disclosed
US-20040038961-A1 Azaisoquinoline derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-02-26 US disclosed
WO-2004014866-A1 AZAISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040038961-A1 Azaisoquinoline derivatives as matrix metalloproteinase inhibitors MMP13, MMP9, MMP1 ELANE 1223/4885GSK3B 241/4885NAMPT 1087/4885

“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.