SCHEMBL5956677

SCHEMBL5956677

Cc1cccc(-c2nc(N)sc2-c2ccnc(-c3ccc(OCCN4CCCC4)cc3)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.52
MAPK14 Q16539 1/20 0.52
PRKAB2 O43741 1/20 0.49
PRKAG1 P54619 1/20 0.49
PRKAA2 P54646 1/20 0.49
PRKAA1 Q13131 1/20 0.49
PRKAG3 Q9UGI9 1/20 0.49
PRKAG2 Q9UGJ0 1/20 0.49
PRKAB1 Q9Y478 1/20 0.49
ATP4A P20648 4/20 0.42
ATP4B P51164 4/20 0.42
SRC P12931 1/20 0.41
LTA4H P09960 3/20 0.41
ACHE P22303 1/20 0.41
MAOB P27338 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
SCHEMBL5956656 0.93 PRKAB2 (0.49) TGFBR1MAPK14PRKAB2PRKAG1PRKAA2
SCHEMBL5956439 0.83 TGFBR1 (0.64) TGFBR1MAPK14
SCHEMBL5956501 0.80 TGFBR1 (0.56) TGFBR1MAPK14
SCHEMBL5956566 0.80 TGFBR1 (0.52) TGFBR1MAPK14
SCHEMBL5919631 0.80 TGFBR1 (0.56) TGFBR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5956442 0.79 TGFBR1 (0.59) TGFBR1MAPK14
SCHEMBL5907478 0.79 TGFBR1 (0.56) TGFBR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5956375 0.79 TGFBR1 (0.54) TGFBR1MAPK14
SCHEMBL5956381 0.79 TGFBR1 (0.46) TGFBR1MAPK14LTA4H
SCHEMBL5956461 0.78 TGFBR1 (0.53) 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 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 297/4885PRKAB2 1097/4885

“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.