SCHEMBL29908593

SCHEMBL29908593

Cc1cccc(-c2nn3c(c2-c2ccc4ncsc4c2)OCCC3)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.42
TGFBR1 P36897 10/20 0.39
PDE4B Q07343 4/20 0.38
PDE4A P27815 3/20 0.38
PDE4C Q08493 3/20 0.38
PIK3CA P42336 1/20 0.36
MPO P05164 1/20 0.36
PFKFB3 Q16875 1/20 0.35
PDE4D Q08499 1/20 0.35
RIPK2 O43353 1/20 0.35
LCK P06239 1/20 0.35
KDR P35968 1/20 0.35
BMPR1A P36894 1/20 0.34
SMAD2 Q15796 1/20 0.34
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL18115046 1.00 MAPK14 (0.42) MAPK14TGFBR1PDE4BPDE4APDE4C
SCHEMBL18115064 0.94 TGFBR1 (0.40) MAPK14TGFBR1PFKFB3RIPK2LCK
SCHEMBL29908616 0.94 TGFBR1 (0.40) MAPK14TGFBR1PFKFB3RIPK2LCK
SCHEMBL18115013 0.83 TGFBR1 (0.47) MAPK14TGFBR1
SCHEMBL18124016 0.82 ALDH1A1 (0.41) MAPK14TGFBR1PIK3CAPFKFB3
SCHEMBL29908576 0.81 TGFBR1 (0.52) MAPK14TGFBR1PDE4BPDE4APDE4C
SCHEMBL19991814 0.81 TGFBR1 (0.52) MAPK14TGFBR1PDE4BPDE4APDE4C
SCHEMBL18124070 0.80 AR (0.36) MAPK14TGFBR1USP30
SCHEMBL29908603 0.78 TGFBR1 (0.50) MAPK14TGFBR1
SCHEMBL18115094 0.78 MAPK14 (0.52) MAPK14TGFBR1PIK3CARIPK2LCK

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 2574/4885TGFBR1 1/4885PDE4B 479/4885
US-11466018-B2 TGF-β inhibitors TGFBR1, TGFBR2, TGFB1 MAPK14 2574/4885TGFBR1 1/4885PDE4B 479/4885
US-20230123591-A1 TGF-ß INHIBITORS TGFBR1, TGFBR2, TGFB1 MAPK14 2664/4885TGFBR1 1/4885PDE4B 465/4885

“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.