SCHEMBL5956501

SCHEMBL5956501

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

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 14/20 0.56
MAPK14 Q16539 4/20 0.56
KDR P35968 3/20 0.42
ACACA Q13085 3/20 0.40
MEN1 O00255 1/20 0.36

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
SCHEMBL5956506 0.93 TGFBR1 (0.46) TGFBR1MAPK14KDRACACAMEN1
SCHEMBL5956439 0.86 TGFBR1 (0.64) TGFBR1MAPK14MEN1
SCHEMBL5956442 0.82 TGFBR1 (0.59) TGFBR1MAPK14KDR
SCHEMBL5956677 0.80 TGFBR1 (0.52) TGFBR1MAPK14
SCHEMBL5956566 0.80 TGFBR1 (0.52) TGFBR1MAPK14KDR
SCHEMBL5956446 0.80 TGFBR1 (0.61) TGFBR1MAPK14KDR
SCHEMBL5956366 0.78 FKBP1A (0.47) TGFBR1MAPK14
SCHEMBL409987 0.76 TGFBR1 (0.47) TGFBR1MAPK14MEN1
SCHEMBL5790085 0.76 TGFBR1 (0.46) TGFBR1MAPK14KDRACACA
SCHEMBL5790314 0.76 TGFBR1 (0.46) TGFBR1MAPK14KDRACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004051-A1 Compounds DODIC NERINA 2006-01-05 US claimed
US-20060004051-A1 Compounds DODIC NERINA 2006-01-05 US disclosed
EP-1554275-A2 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-20 EP disclosed
WO-2004013134-A2 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-12 WO 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.