SCHEMBL5791586

SCHEMBL5791586

Cc1cccc(-c2nc3c(C)cccn3c2-c2ccnc(-c3ccc(S(C)(=O)=O)cc3)c2)n1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 16/20 0.59
MAPK14 Q16539 8/20 0.59
KDR P35968 8/20 0.59
RIPK2 O43353 1/20 0.54
THRB P10828 1/20 0.41
GAA P10253 1/20 0.39
MAPT P10636 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
SCHEMBL5788683 0.86 USP7 (0.48) TGFBR1MAPK14KDRGAAMAPT
SCHEMBL5787144 0.86 TGFBR1 (0.60) TGFBR1MAPK14KDRRIPK2THRB
SCHEMBL5789604 0.86 TGFBR1 (0.43) TGFBR1MAPK14KDRRIPK2GAA
SCHEMBL5786493 0.81 HRH3 (0.44) TGFBR1MAPK14KDRGAAMAPT
SCHEMBL5790314 0.81 TGFBR1 (0.46) TGFBR1MAPK14KDRMAPT
SCHEMBL5790966 0.80 TGFBR1 (0.44) TGFBR1MAPK14KDRRIPK2GAA
SCHEMBL5792126 0.80 GAA (0.42) TGFBR1MAPK14KDRGAAMAPT
SCHEMBL5789395 0.79 TGFBR1 (0.48) TGFBR1MAPK14KDR
SCHEMBL413588 0.78 GAA (0.40) TGFBR1MAPK14KDRRIPK2GAA
SCHEMBL5789274 0.78 TGFBR1 (0.46) TGFBR1MAPK14KDRGAAMAPT

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 TGFBR1 4/4885MAPK14 285/4885KDR 160/4885

“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.