SCHEMBL5789604

SCHEMBL5789604

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.43
KDR P35968 10/20 0.43
MAPK14 Q16539 7/20 0.43
RIPK2 O43353 1/20 0.40
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.38

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 0.87 USP7 (0.48) TGFBR1KDRMAPK14GAAMAPT
SCHEMBL5791586 0.86 TGFBR1 (0.59) TGFBR1KDRMAPK14RIPK2GAA
SCHEMBL5791351 0.85 TGFBR1 (0.44) TGFBR1KDRMAPK14RIPK2
SCHEMBL5788266 0.83 TGFBR1 (0.43) TGFBR1KDRMAPK14RIPK2GAA
SCHEMBL5786493 0.81 HRH3 (0.44) TGFBR1KDRMAPK14GAAMAPT
SCHEMBL5790314 0.81 TGFBR1 (0.46) TGFBR1KDRMAPK14MAPT
SCHEMBL5790966 0.81 TGFBR1 (0.44) TGFBR1KDRMAPK14RIPK2GAA
SCHEMBL5792126 0.81 GAA (0.42) TGFBR1KDRMAPK14GAAMAPT
SCHEMBL5790863 0.79 TGFBR1 (0.42) TGFBR1KDRMAPK14RIPK2GAA
SCHEMBL5789395 0.79 TGFBR1 (0.48) TGFBR1KDRMAPK14

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 4/4885KDR 160/4885MAPK14 285/4885

“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.