SCHEMBL29908604

SCHEMBL29908604

Cc1cc(-c2nn3c(c2-c2ccc4ncsc4c2)CCC3)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.54
THRB P10828 5/20 0.48
TGFBR2 P37173 6/20 0.42
MAP3K20 Q9NYL2 5/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL18115078 1.00 TGFBR1 (0.54) TGFBR1THRBTGFBR2MAP3K20CYP2D6
SCHEMBL18114855 0.91 TGFBR1 (0.53) TGFBR1THRBTGFBR2MAP3K20CYP2D6
SCHEMBL18123895 0.88 TGFBR1 (0.45) TGFBR1THRBTGFBR2MAP3K20CYP2D6
SCHEMBL18115102 0.88 TGFBR1 (0.44) TGFBR1THRBTGFBR2MAP3K20CYP2D6
SCHEMBL18115091 0.86 THRB (0.52) TGFBR1THRBTGFBR2MAP3K20CYP2D6
SCHEMBL18124115 0.85 TGFBR1 (0.46) TGFBR1THRBTGFBR2MAP3K20CYP2D6
SCHEMBL29908569 0.85 THRB (0.46) TGFBR1THRBTGFBR2MAP3K20CYP2D6
SCHEMBL18115098 0.85 THRB (0.46) TGFBR1THRBTGFBR2MAP3K20CYP2D6
SCHEMBL18115013 0.85 TGFBR1 (0.47) TGFBR1THRBTGFBR2MAP3K20CYP2D6
SCHEMBL18115048 0.85 THRB (0.46) TGFBR1THRBTGFBR2MAP3K20CYP2D6

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-11466018-B2 TGF-β inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2022-10-11 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-11466018-B2 TGF-β inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885THRB 102/4885TGFBR2 2/4885

“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.