SCHEMBL413245

SCHEMBL413245

FC(F)(F)Oc1cccc(-c2nn3c(c2-c2ccnc4ccccc24)CCC3)c1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.64
THRB P10828 8/20 0.59
MAPK14 Q16539 8/20 0.59

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
SCHEMBL413248 0.97 TGFBR1 (0.61) TGFBR1THRBMAPK14
SCHEMBL411812 0.86 TGFBR1 (0.62) TGFBR1THRBMAPK14
SCHEMBL409613 0.84 TGFBR1 (0.68) TGFBR1THRBMAPK14
SCHEMBL413242 0.83 TGFBR1 (0.58) TGFBR1THRBMAPK14
SCHEMBL408573 0.83 TGFBR1 (0.75) TGFBR1THRBMAPK14
SCHEMBL18123886 0.82 TGFBR1 (0.53) TGFBR1THRBMAPK14
SCHEMBL29908639 0.82 TGFBR1 (0.53) TGFBR1THRBMAPK14
SCHEMBL413513 0.81 TGFBR1 (0.66) TGFBR1THRBMAPK14
SCHEMBL412167 0.80 TGFBR1 (0.60) TGFBR1THRBMAPK14
SCHEMBL18115119 0.80 TGFBR1 (0.49) TGFBR1THRBMAPK14

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086764-A1 TGF-ß Inhibitors MIDCAP FINANCIAL TRUST 2018-03-29 US claimed
EP-3277673-A1 TGF-BETA INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2018-02-07 EP claimed
WO-2016160881-A1 TGF-β INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2016-10-06 WO claimed
EP-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP claimed
CN-1269820-C Novel pyrrole derivatives as medicaments LILLY CO ELI (US) 2006-08-16 CN claimed
CN-1511157-A Novel pyrrole derivatives as medicaments 2004-07-07 CN claimed
US-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY 2004-06-03 US claimed
EP-1397364-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-03-17 EP claimed
WO-2002094833-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2002-11-28 WO claimed
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
US-20210130361-A1 TGF-ß INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2021-05-06 US disclosed
US-10822337-B2 TGF-β inhibitorC RIGEL PHARMACEUTICALS, INC. (US) 2020-11-03 US disclosed
CN-1269820-C Novel pyrrole derivatives as medicaments LILLY CO ELI (US) 2006-08-16 CN disclosed
US-7087626-B2 Pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-08-08 US disclosed
CN-1511157-A Novel pyrrole derivatives as medicaments 2004-07-07 CN disclosed
US-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY 2004-06-03 US disclosed
EP-1397364-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-03-17 EP disclosed
WO-2002094833-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2002-11-28 WO 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 (7 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 1/4885THRB 102/4885MAPK14 2574/4885
US-10822337-B2 TGF-β inhibitorC TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885THRB 193/4885MAPK14 2531/4885
US-11466018-B2 TGF-β inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885THRB 102/4885MAPK14 2574/4885
US-20210130361-A1 TGF-ß INHIBITORS TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885THRB 86/4885MAPK14 2664/4885
US-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885THRB 500/4885MAPK14 546/4885
US-20180086764-A1 TGF-ß Inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885THRB 86/4885MAPK14 2664/4885
US-20230123591-A1 TGF-ß INHIBITORS TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885THRB 86/4885MAPK14 2664/4885

“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.