SCHEMBL5956423

SCHEMBL5956423

Cc1cccc(-c2sc(N)nc2-c2ccnc(-c3ccc(C(=O)NC4CCOCC4)cc3)c2)n1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.66
KDR P35968 5/20 0.61
MAPK14 Q16539 4/20 0.51
ATR Q13535 2/20 0.44
EIF4E P06730 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
GABRA5 P31644 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL5956369 0.94 TGFBR1 (0.64) TGFBR1KDRMAPK14ATREIF4E
SCHEMBL5956553 0.90 TGFBR1 (0.61) TGFBR1KDRMAPK14ATREIF4E
SCHEMBL5956861 0.83 HPGD (0.51) TGFBR1KDRMAPK14ATR
SCHEMBL5907453 0.81 TGFBR1 (0.69) TGFBR1KDRMAPK14ATRMAPKAPK2
SCHEMBL408704 0.80 TGFBR1 (0.69) TGFBR1KDRMAPK14ATRMAPKAPK2
SCHEMBL5907455 0.80 TGFBR1 (0.67) TGFBR1KDRMAPK14ATRMAPKAPK2
SCHEMBL6222961 0.79 TGFBR1 (1.00) TGFBR1KDRMAPK14ATRMAPKAPK2
SCHEMBL6264300 0.79 TGFBR1 (0.78) TGFBR1KDRMAPK14ATRMAPKAPK2
SCHEMBL5956473 0.79 TGFBR1 (0.48) TGFBR1KDRMAPK14PIK3C3
SCHEMBL5787523 0.77 TGFBR1 (0.69) TGFBR1KDRMAPK14ATRGABRA5

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 3/4885KDR 227/4885MAPK14 297/4885

“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.