SCHEMBL408400

SCHEMBL408400

CN1CCN(CCOc2ccc3c(-c4c(-c5ccccn5)nn5c4CCC5)ccnc3c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 1.00
TGFBR2 P37173 1/20 0.84
THRB P10828 4/20 0.64
MAPK14 Q16539 4/20 0.64

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
SCHEMBL373353 0.96 TGFBR1 (1.00) TGFBR1TGFBR2THRBMAPK14
SCHEMBL409473 0.95 TGFBR1 (0.90) TGFBR1TGFBR2THRBMAPK14
SCHEMBL410936 0.94 TGFBR1 (0.89) TGFBR1TGFBR2THRBMAPK14
SCHEMBL30611591 0.91 TGFBR1 (1.00) TGFBR1TGFBR2THRBMAPK14
SCHEMBL3737735 0.91 TGFBR1 (1.00) TGFBR1TGFBR2THRBMAPK14
SCHEMBL412952 0.91 TGFBR1 (0.91) TGFBR1TGFBR2THRBMAPK14
SCHEMBL413287 0.90 TGFBR1 (0.89) TGFBR1TGFBR2THRBMAPK14
SCHEMBL410851 0.90 TGFBR1 (0.89) TGFBR1TGFBR2THRBMAPK14
SCHEMBL5235558 0.89 TGFBR1 (0.87) TGFBR1TGFBR2THRBMAPK14
SCHEMBL5923689 0.88 TGFBR1 (0.94) TGFBR1TGFBR2THRBMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP 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-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-20160115447-A1 COMPOSITIONS AND METHODS FOR IMPROVING INDUCED NEURON GENERATION HOWARD HUGHES MEDICAL INSTITUTE 2016-04-28 US disclosed
US-8298825-B1 TGF-beta receptor inhibitors to enhance direct reprogramming THE GENERAL HOSPITAL CORPORATION (US) 2012-10-30 US disclosed
WO-2012138945-A1 METHODS OF TREATING SCHIZOPHRENIA WITH PYRAZOLE DERIVATIVE INHIBITORS OF TGF - BETA AESTUS THERAPEUTICS, INC. (US) 2012-10-11 WO disclosed
US-20120021519-A1 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-26 US disclosed
EP-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP disclosed
US-7087626-B2 Pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-08-08 US 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 (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-11987558-B1 ALK5 inhibitors and their uses ALK, ALKBH3, ALKBH5 TGFBR1 106/4885TGFBR2 59/4885THRB 892/4885
US-20220249680-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 TGFBR1 528/4885TGFBR2 332/4885THRB 1981/4885
US-20210299268-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 TGFBR1 528/4885TGFBR2 332/4885THRB 1981/4885
US-20230090552-A1 ALK5 INHIBITOR CONJUGATES AND USES THEREOF ALK, ALKBH5, ALKBH3 TGFBR1 75/4885TGFBR2 87/4885THRB 2718/4885
US-11583593-B2 Antibody-ALK5 inhibitor conjugates and their uses ALK, ALKBH5, ALKBH3 TGFBR1 528/4885TGFBR2 332/4885THRB 1981/4885
US-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885TGFBR2 3/4885THRB 500/4885
US-20200147234-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 TGFBR1 528/4885TGFBR2 332/4885THRB 1981/4885
US-20160115447-A1 COMPOSITIONS AND METHODS FOR IMPROVING INDUCED NEURON GENERATION PLK1, GAP43, NEFM TGFBR1 2217/4885TGFBR2 1904/4885THRB 2669/4885
US-20230132568-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 TGFBR1 528/4885TGFBR2 332/4885THRB 1981/4885

“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.