SCHEMBL29908576

SCHEMBL29908576

Cc1cccc(-c2nn3c(c2-c2ccc4ncn(C)c4c2)OCCC3)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.52
TGFBR2 P37173 5/20 0.52
MAP3K20 Q9NYL2 4/20 0.52
MAPK14 Q16539 2/20 0.42
PDE4B Q07343 4/20 0.40
PDE4A P27815 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
DYRK1A Q13627 1/20 0.36
MPO P05164 1/20 0.36

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
SCHEMBL19991814 1.00 TGFBR1 (0.52) TGFBR1TGFBR2MAP3K20MAPK14PDE4B
SCHEMBL19991796 0.94 TGFBR1 (0.48) TGFBR1TGFBR2MAP3K20MAPK14PRMT5
SCHEMBL29908594 0.94 TGFBR1 (0.48) TGFBR1TGFBR2MAP3K20MAPK14PRMT5
SCHEMBL29908590 0.83 TGFBR1 (0.72) TGFBR1TGFBR2MAP3K20
SCHEMBL18114959 0.83 TGFBR1 (0.72) TGFBR1TGFBR2MAP3K20
SCHEMBL18124015 0.82 TGFBR1 (0.44) TGFBR1TGFBR2MAP3K20MAPK14PRMT5
SCHEMBL29908612 0.82 TGFBR1 (0.44) TGFBR1TGFBR2MAP3K20MAPK14PRMT5
SCHEMBL18124173 0.81 GSK3B (0.45) TGFBR1TGFBR2MAP3K20MAPK14DYRK1A
SCHEMBL29908580 0.81 GSK3B (0.45) TGFBR1TGFBR2MAP3K20MAPK14DYRK1A
SCHEMBL18115046 0.81 MAPK14 (0.42) TGFBR1MAPK14PDE4BPDE4APDE4C

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 TGFBR1 1/4885TGFBR2 2/4885MAP3K20 1663/4885
US-11466018-B2 TGF-β inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885TGFBR2 2/4885MAP3K20 1663/4885
US-20230123591-A1 TGF-ß INHIBITORS TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885TGFBR2 2/4885MAP3K20 1763/4885

“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.