SCHEMBL29908617

SCHEMBL29908617

Fc1ccccc1-c1nn2c(c1-c1ccc3ncsc3c1)CCC2

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.53
THRB P10828 7/20 0.46
TGFBR1 P36897 17/20 0.45
TGFBR2 P37173 7/20 0.45
MAP3K20 Q9NYL2 7/20 0.44
CYP2D6 P10635 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 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
SCHEMBL18114966 1.00 MAPK14 (0.53) MAPK14THRBTGFBR1TGFBR2MAP3K20
SCHEMBL18115048 0.90 THRB (0.46) MAPK14THRBTGFBR1TGFBR2MAP3K20
SCHEMBL29908569 0.90 THRB (0.46) MAPK14THRBTGFBR1TGFBR2MAP3K20
SCHEMBL18115047 0.89 THRB (0.45) MAPK14THRBTGFBR1TGFBR2MAP3K20
SCHEMBL29908614 0.89 THRB (0.45) MAPK14THRBTGFBR1TGFBR2MAP3K20
SCHEMBL29908619 0.89 TGFBR1 (0.45) MAPK14THRBTGFBR1TGFBR2MAP3K20
SCHEMBL18115118 0.89 TGFBR1 (0.45) MAPK14THRBTGFBR1TGFBR2MAP3K20
SCHEMBL18124057 0.88 TGFBR1 (0.43) MAPK14THRBTGFBR1TGFBR2MAP3K20
SCHEMBL29908634 0.88 TGFBR1 (0.43) MAPK14THRBTGFBR1TGFBR2MAP3K20
SCHEMBL18124039 0.88 TGFBR1 (0.45) MAPK14THRBTGFBR1TGFBR2MAP3K20

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 MAPK14 2574/4885THRB 102/4885TGFBR1 1/4885
US-11466018-B2 TGF-β inhibitors TGFBR1, TGFBR2, TGFB1 MAPK14 2574/4885THRB 102/4885TGFBR1 1/4885
US-20230123591-A1 TGF-ß INHIBITORS TGFBR1, TGFBR2, TGFB1 MAPK14 2664/4885THRB 86/4885TGFBR1 1/4885

“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.