SCHEMBL5956446

SCHEMBL5956446

Cc1cccc(-c2nc(N)sc2-c2ccnc(-c3ccc(S(C)(=O)=O)cc3)c2)n1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.61
MAPK14 Q16539 10/20 0.61
KDR P35968 4/20 0.56
RIPK2 O43353 1/20 0.54
FBP1 P09467 1/20 0.42
THRB P10828 1/20 0.42
ATR Q13535 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
SCHEMBL5199626 0.87 MAPK14 (0.59) TGFBR1MAPK14KDRRIPK2FBP1
SCHEMBL5956439 0.84 TGFBR1 (0.64) TGFBR1MAPK14THRB
SCHEMBL5199978 0.83 TGFBR1 (0.54) TGFBR1MAPK14KDRRIPK2FBP1
SCHEMBL5956685 0.82 TGFBR1 (0.48) TGFBR1MAPK14KDRRIPK2
SCHEMBL5956442 0.80 TGFBR1 (0.59) TGFBR1MAPK14KDR
SCHEMBL5956501 0.80 TGFBR1 (0.56) TGFBR1MAPK14KDR
SCHEMBL5956486 0.79 TGFBR1 (0.57) TGFBR1MAPK14KDRRIPK2
SCHEMBL5956355 0.78 TGFBR1 (0.67) TGFBR1MAPK14KDR
SCHEMBL5956633 0.77 TGFBR1 (0.54) TGFBR1MAPK14KDR
SCHEMBL5956375 0.76 TGFBR1 (0.54) TGFBR1MAPK14KDRRIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004051-A1 Compounds DODIC NERINA 2006-01-05 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-20060004051-A1 Compounds SMAD3, SMAD2, TGFBR1 TGFBR1 3/4885MAPK14 297/4885KDR 227/4885

“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.