SCHEMBL5956486

SCHEMBL5956486

Cc1cccc(-c2nc(N)sc2-c2ccnc(-c3ccc(N4CCOCC4)cc3)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.57
MAPK14 Q16539 3/20 0.57
KDR P35968 7/20 0.46
JAK2 O60674 2/20 0.46
CDC7 O00311 1/20 0.46
PLK4 O00444 1/20 0.46
CIT O14578 1/20 0.46
CHEK1 O14757 1/20 0.46
AURKA O14965 1/20 0.46
GAK O14976 1/20 0.46
EPHB6 O15197 1/20 0.46
PDPK1 O15530 1/20 0.46
DAPK3 O43293 1/20 0.46
RIPK2 O43353 1/20 0.46
BUB1 O43683 1/20 0.46
CCNT1 O60563 1/20 0.46
ROCK2 O75116 1/20 0.46
RPS6KA4 O75676 1/20 0.46
STK16 O75716 1/20 0.46
STK10 O94804 1/20 0.46

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
SCHEMBL5956473 0.93 TGFBR1 (0.48) TGFBR1MAPK14KDRJAK2CDC7
SCHEMBL6409107 0.88 AR (0.47) TGFBR1KDRJAK2CDC7PLK4
SCHEMBL5956375 0.88 TGFBR1 (0.54) TGFBR1MAPK14KDRRIPK2EGFR
SCHEMBL5956461 0.87 TGFBR1 (0.53) TGFBR1MAPK14KDRJAK2EGFR
SCHEMBL5956693 0.82 AR (0.47) TGFBR1KDRJAK2CDC7PLK4
SCHEMBL5956439 0.81 TGFBR1 (0.64) TGFBR1MAPK14CDK5DYRK1ANPC1
SCHEMBL5956435 0.80 TGFBR1 (0.48) TGFBR1MAPK14JAK2EGFRFLT1
SCHEMBL5956861 0.79 HPGD (0.51) TGFBR1MAPK14KDRCCNT1ABL1
SCHEMBL5956369 0.79 TGFBR1 (0.64) TGFBR1MAPK14KDRPIK3C3
SCHEMBL5956446 0.79 TGFBR1 (0.61) 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 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.