SCHEMBL5956439

SCHEMBL5956439

COc1ccc(-c2cc(-c3sc(N)nc3-c3cccc(C)n3)ccn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 9/20 0.64
MAPK14 Q16539 4/20 0.64
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
DYRK1A Q13627 2/20 0.41
CYP19A1 P11511 1/20 0.41
THRB P10828 1/20 0.41
CDK5 Q00535 1/20 0.40

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
SCHEMBL5956442 0.89 TGFBR1 (0.59) TGFBR1MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL450076 0.88 TGFBR1 (0.52) TGFBR1MAPK14NPC1RAB9AMEN1
SCHEMBL5956501 0.86 TGFBR1 (0.56) TGFBR1MAPK14MEN1
SCHEMBL5956446 0.84 TGFBR1 (0.61) TGFBR1MAPK14THRB
SCHEMBL5956677 0.83 TGFBR1 (0.52) TGFBR1MAPK14
SCHEMBL5956566 0.82 TGFBR1 (0.52) TGFBR1MAPK14
SCHEMBL5956486 0.81 TGFBR1 (0.57) TGFBR1MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL5956355 0.81 TGFBR1 (0.67) TGFBR1MAPK14MEN1KMT2ASMN1; SMN2
SCHEMBL5956378 0.81 TGFBR1 (0.48) TGFBR1MAPK14NPC1RAB9AMEN1
SCHEMBL5956379 0.81 TGFBR1 (0.48) TGFBR1MAPK14NPC1RAB9AMEN1

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 297/4885NPC1 3576/4885

“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.