SCHEMBL29529491

SCHEMBL29529491

Fc1ccc(F)c(-c2nn3c(c2-c2ccc4nccnc4c2)CCC3)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.51
TGFBR1 P36897 19/20 0.47
TGFBR2 P37173 7/20 0.45
MAPK14 Q16539 3/20 0.45
MAP3K20 Q9NYL2 7/20 0.44
CYP2D6 P10635 1/20 0.41

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
SCHEMBL18115007 1.00 THRB (0.51) THRBTGFBR1TGFBR2MAPK14MAP3K20
SCHEMBL29530607 0.91 THRB (0.51) THRBTGFBR1TGFBR2MAPK14MAP3K20
SCHEMBL18115095 0.91 THRB (0.51) THRBTGFBR1TGFBR2MAPK14MAP3K20
SCHEMBL18115116 0.90 TGFBR1 (0.48) THRBTGFBR1TGFBR2MAPK14MAP3K20
SCHEMBL19998101 0.89 TGFBR1 (0.50) THRBTGFBR1TGFBR2MAPK14MAP3K20
SCHEMBL18114922 0.89 TGFBR1 (0.48) THRBTGFBR1TGFBR2MAPK14MAP3K20
SCHEMBL29530366 0.89 TGFBR1 (0.48) THRBTGFBR1TGFBR2MAPK14MAP3K20
SCHEMBL29529529 0.88 THRB (0.52) THRBTGFBR1TGFBR2MAPK14MAP3K20
SCHEMBL18115021 0.88 THRB (0.52) THRBTGFBR1TGFBR2MAPK14MAP3K20
SCHEMBL18114841 0.88 TGFBR1 (0.47) THRBTGFBR1TGFBR2MAPK14MAP3K20

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12227508-B2 TGF-β inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2025-02-18 US disclosed
US-20230123591-A1 TGF-ß INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2023-04-20 US disclosed
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 (3 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-12227508-B2 TGF-β inhibitors TGFBR1, TGFBR2, TGFB1 THRB 102/4885TGFBR1 1/4885TGFBR2 2/4885
US-11466018-B2 TGF-β inhibitors TGFBR1, TGFBR2, TGFB1 THRB 102/4885TGFBR1 1/4885TGFBR2 2/4885
US-20230123591-A1 TGF-ß INHIBITORS TGFBR1, TGFBR2, TGFB1 THRB 86/4885TGFBR1 1/4885TGFBR2 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.