SCHEMBL5956685

SCHEMBL5956685

CCS(=O)(=O)c1ccc(-c2cc(-c3nc(N)sc3-c3cccc(C)n3)ccn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 14/20 0.48
MAPK14 Q16539 8/20 0.48
KDR P35968 4/20 0.44
RIPK2 O43353 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL5956633 0.83 TGFBR1 (0.54) TGFBR1MAPK14KDRCYP3A4MEN1
SCHEMBL5956446 0.82 TGFBR1 (0.61) TGFBR1MAPK14KDRRIPK2
SCHEMBL5956432 0.81 TGFBR1 (0.49) TGFBR1MAPK14KDRMEN1ALDH1A1
SCHEMBL5956506 0.80 TGFBR1 (0.46) TGFBR1MAPK14KDRRIPK2MEN1
SCHEMBL5956378 0.78 TGFBR1 (0.48) TGFBR1MAPK14CYP1A2CYP3A4MEN1
SCHEMBL5956379 0.78 TGFBR1 (0.48) TGFBR1MAPK14CYP1A2CYP3A4MEN1
SCHEMBL5956381 0.78 TGFBR1 (0.46) TGFBR1MAPK14KDRRIPK2CYP2C19
SCHEMBL5956473 0.77 TGFBR1 (0.48) TGFBR1MAPK14KDRRIPK2ALDH1A1
SCHEMBL5956435 0.76 TGFBR1 (0.48) TGFBR1MAPK14
SCHEMBL5956656 0.75 PRKAB2 (0.49) TGFBR1MAPK14

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.