SCHEMBL5956461

SCHEMBL5956461

Cc1cccc(-c2nc(N)sc2-c2ccnc(-c3ccc(CN4CCOCC4)cc3)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.53
MAPK14 Q16539 2/20 0.53
MAPKAPK2 P49137 1/20 0.43
DYRK1A Q13627 1/20 0.40
HDAC1 Q13547 2/20 0.40
JAK2 O60674 3/20 0.39
EGFR P00533 1/20 0.38
FLT1 P17948 1/20 0.38
JAK1 P23458 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KDR P35968 4/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL5956435 0.93 TGFBR1 (0.48) TGFBR1MAPK14MAPKAPK2DYRK1AHDAC1
SCHEMBL5956486 0.87 TGFBR1 (0.57) TGFBR1MAPK14DYRK1AJAK2EGFR
SCHEMBL5956381 0.85 TGFBR1 (0.46) TGFBR1MAPK14HRH3KDR
SCHEMBL5956375 0.81 TGFBR1 (0.54) TGFBR1MAPK14EGFRKDR
SCHEMBL5907467 0.80 TGFBR1 (0.54) TGFBR1MAPK14MAPKAPK2DYRK1AHDAC1
SCHEMBL5956473 0.80 TGFBR1 (0.48) TGFBR1MAPK14DYRK1AJAK2EGFR
SCHEMBL5907462 0.80 TGFBR1 (0.55) TGFBR1MAPK14MAPKAPK2DYRK1AJAK2
SCHEMBL5919650 0.80 TGFBR1 (0.55) TGFBR1MAPK14MAPKAPK2DYRK1AHDAC1
SCHEMBL5956677 0.78 TGFBR1 (0.52) TGFBR1MAPK14
SCHEMBL5956439 0.78 TGFBR1 (0.64) TGFBR1MAPK14DYRK1A

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 297/4885MAPKAPK2 171/4885

“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.