SCHEMBL5790886

SCHEMBL5790886

Oc1ccc(-c2cc(-c3c(-c4ccccn4)nc4ccccn34)ccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 5/20 0.48
PTGS2 P35354 1/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
GAA P10253 6/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
GFER P55789 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NR1I3 Q14994 1/20 0.41

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
SCHEMBL5788291 0.88 MAPT (0.48) PTGS2RAB9ANPC1GAAMAPT
SCHEMBL5792573 0.88 TGFBR1 (0.45) USP7TGFBR1CSNK1D
SCHEMBL5787865 0.86 BRD4 (0.46) USP7PTGS2RAB9ANPC1GAA
SCHEMBL5789465 0.85 NPC1 (0.51) USP7PTGS2RAB9ANPC1GAA
SCHEMBL5790871 0.85 PTGS2 (0.44) PTGS2RAB9ANPC1GAAMAPT
SCHEMBL25767630 0.84 PTGS2 (0.49) USP7PTGS2GAAMAPTALDH1A1
SCHEMBL5790985 0.84 TGFBR1 (0.59) PTGS2GAAMAPTALDH1A1KDM4E
SCHEMBL5789751 0.84 MAPK13 (0.46) USP7RAB9ANPC1GAAMAPT
SCHEMBL5791778 0.83 CCNE1 (0.48) USP7PTGS2RAB9ANPC1GAA
SCHEMBL25767725 0.82 PTGS2 (0.57) USP7PTGS2RAB9ANPC1GAA

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
EP-1543003-B1 IMIDAZO¬1,2-A|PYRIDINES SMITHKLINE BEECHAM CORP (US) 2006-05-17 EP disclosed
US-20050234029-A1 Compounds DODIC NERINA 2005-10-20 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-20050234029-A1 Compounds SMAD3, SMAD2, ACVR1 USP7 4477/4885PTGS2 3105/4885RAB9A 3703/4885

“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.