SCHEMBL373236

SCHEMBL373236

OCCCn1cnc2ccc(-c3c(-c4ccccn4)nn4c3CCC4)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 1.00
MAP3K20 Q9NYL2 8/20 1.00
TGFBR2 P37173 8/20 1.00
THRB P10828 2/20 0.55

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
SCHEMBL31060212 1.00 TGFBR1 (1.00) TGFBR1MAP3K20TGFBR2THRB
SCHEMBL373725 0.91 TGFBR1 (1.00) TGFBR1MAP3K20TGFBR2THRB
SCHEMBL373761 0.89 TGFBR1 (1.00) TGFBR1MAP3K20TGFBR2THRB
SCHEMBL14108234 0.89 TGFBR1 (0.79) TGFBR1MAP3K20TGFBR2THRB
SCHEMBL373460 0.87 TGFBR1 (1.00) TGFBR1MAP3K20TGFBR2THRB
SCHEMBL4815067 0.85 TGFBR1 (0.74) TGFBR1MAP3K20TGFBR2THRB
SCHEMBL416188 0.84 TGFBR1 (0.91) TGFBR1MAP3K20TGFBR2THRB
SCHEMBL373377 0.84 TGFBR1 (1.00) TGFBR1MAP3K20TGFBR2THRB
SCHEMBL373883 0.82 TGFBR1 (1.00) TGFBR1MAP3K20TGFBR2THRB
SCHEMBL4813638 0.82 TGFBR1 (0.90) TGFBR1MAP3K20TGFBR2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7405299-B2 Compounds as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-07-29 US claimed
EP-1567527-A1 CONDENSED PYRAZOLO DERIVATIVES ELI LILLY AND COMPANY (US) 2005-08-31 EP claimed
WO-2004050659-A1 NOVEL COMPOUNDS AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-06-17 WO claimed
US-11987558-B1 ALK5 inhibitors and their uses SYNTHIS THERAPEUTICS, INC. (US) 2024-05-21 US disclosed
US-20230132568-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES SYNTHIS THERAPEUTICS, INC. (US) 2023-05-04 US disclosed
US-20230090552-A1 ALK5 INHIBITOR CONJUGATES AND USES THEREOF SYNTHIS THERAPEUTICS, INC. (US) 2023-03-23 US disclosed
US-11583593-B2 Antibody-ALK5 inhibitor conjugates and their uses SYNTHIS THERAPEUTICS, INC. (US) 2023-02-21 US disclosed
US-20220249680-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES SYNTHIS THERAPEUTICS, INC. (US) 2022-08-11 US disclosed
US-20210299268-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES SYNTHIS THERAPEUTICS, INC. (US) 2021-09-30 US disclosed
US-20200147234-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES SYNTHIS, LLC (US) 2020-05-14 US disclosed
US-8871744-B2 Compounds and methods for selectively targeting tumor-associated mucins B & G Partyers, LLC (US) 2014-10-28 US disclosed
US-20120022016-A1 Compounds and methods for selectively targeting tumor-associated mucins B&G PARTNERS, LLC 2012-01-26 US disclosed
EP-2409708-A1 Compounds and methods for selectively targeting tumor-associated mucins B & G Partners, LLC (US) 2012-01-25 EP disclosed
US-7405299-B2 Compounds as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-07-29 US disclosed
US-20060058295-A1 Novel compounds as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-03-16 US disclosed
EP-1567527-A1 CONDENSED PYRAZOLO DERIVATIVES ELI LILLY AND COMPANY (US) 2005-08-31 EP disclosed
WO-2004050659-A1 NOVEL COMPOUNDS AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-06-17 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 (9 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-20060058295-A1 Novel compounds as pharmaceutical agents TGFB1, TGFB2, TGFBR1 TGFBR1 3/4885MAP3K20 105/4885TGFBR2 4/4885
US-11987558-B1 ALK5 inhibitors and their uses ALK, ALKBH3, ALKBH5 TGFBR1 106/4885MAP3K20 294/4885TGFBR2 59/4885
US-20220249680-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 TGFBR1 528/4885MAP3K20 1139/4885TGFBR2 332/4885
US-20210299268-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 TGFBR1 528/4885MAP3K20 1139/4885TGFBR2 332/4885
US-20120022016-A1 Compounds and methods for selectively targeting tumor-associated mucins MUC1, NEU4, ALK TGFBR1 1324/4885MAP3K20 2119/4885TGFBR2 1798/4885
US-20230090552-A1 ALK5 INHIBITOR CONJUGATES AND USES THEREOF ALK, ALKBH5, ALKBH3 TGFBR1 75/4885MAP3K20 441/4885TGFBR2 87/4885
US-11583593-B2 Antibody-ALK5 inhibitor conjugates and their uses ALK, ALKBH5, ALKBH3 TGFBR1 528/4885MAP3K20 1139/4885TGFBR2 332/4885
US-20200147234-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 TGFBR1 528/4885MAP3K20 1139/4885TGFBR2 332/4885
US-20230132568-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 TGFBR1 528/4885MAP3K20 1139/4885TGFBR2 332/4885

“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.