SCHEMBL5787148

SCHEMBL5787148

Brc1cc(-c2c(-c3ccccn3)nc3ccccn23)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.49
GAA P10253 5/20 0.46
MAPT P10636 4/20 0.46
HTT P42858 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
GFER P55789 1/20 0.46
TP53 P04637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NR1I3 Q14994 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CDK4 P11802 1/20 0.39

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 0.87 MAPT (0.48) PTGS2GAAMAPTHTTNPSR1
SCHEMBL5791338 0.86 IGF1R (0.38) PTGS2GAAMAPTHTTNPSR1
SCHEMBL5789350 0.86 CDK2 (0.44) GAAMAPTHTTNPSR1TDP1
SCHEMBL25767722 0.84 PTGS2 (0.53) PTGS2GAAMAPTHTTNPSR1
SCHEMBL13382207 0.83 PTGS2 (0.60) PTGS2GAAMAPTHTTNPSR1
SCHEMBL25767725 0.83 PTGS2 (0.57) PTGS2GAAMAPTHTTNPSR1
SCHEMBL25767630 0.82 PTGS2 (0.49) PTGS2GAAMAPTHTTNPSR1
SCHEMBL5790886 0.82 USP7 (0.48) PTGS2GAAMAPTHTTNPSR1
SCHEMBL25767719 0.80 PTGS2 (0.52) PTGS2GAAMAPTHTTNPSR1
SCHEMBL5790032 0.80 GAA (0.46) GAAMAPTNPSR1ALDH1A1L3MBTL1

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-1543003-B1 IMIDAZO¬1,2-A|PYRIDINES SMITHKLINE BEECHAM CORP (US) 2006-05-17 EP disclosed
US-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors DODIC NERINA 2005-11-03 US 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 (2 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-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors SMAD2, SMAD3, ALK PTGS2 2473/4885GAA 1784/4885MAPT 1496/4885
US-20050234029-A1 Compounds SMAD3, SMAD2, ACVR1 PTGS2 3105/4885GAA 1767/4885MAPT 1376/4885

“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.