SCHEMBL411940

SCHEMBL411940

Cc1cccc(-c2nn3c(c2-c2ccnc4cc(O)ccc24)CCC3)n1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.80
MAPK14 Q16539 11/20 0.80
THRB P10828 10/20 0.80
GAK O14976 1/20 0.68
RIPK2 O43353 1/20 0.68
MAP4K4 O95819 1/20 0.68
KDR P35968 1/20 0.68
ACVR1B P36896 1/20 0.68
TGFBR2 P37173 1/20 0.68
CSNK1A1 P48729 1/20 0.68
CSNK1D P48730 1/20 0.68
CSNK1E P49674 1/20 0.68
TGFB2 P61812 1/20 0.68
MINK1 Q8N4C8 1/20 0.68
COQ8A Q8NI60 1/20 0.68
TNIK Q9UKE5 1/20 0.68
RIPK3 Q9Y572 1/20 0.68

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
SCHEMBL31461245 0.93 TGFBR1 (0.80) TGFBR1MAPK14THRBGAKRIPK2
SCHEMBL23852042 0.93 TGFBR1 (0.80) TGFBR1MAPK14THRBGAKRIPK2
SCHEMBL372897 0.89 TGFBR1 (1.00) TGFBR1MAPK14THRBGAKRIPK2
SCHEMBL413323 0.89 TGFBR1 (0.80) TGFBR1MAPK14THRBGAKRIPK2
SCHEMBL414104 0.89 TGFBR1 (0.86) TGFBR1MAPK14THRBGAKRIPK2
SCHEMBL415080 0.88 TGFBR1 (0.76) TGFBR1MAPK14THRBGAKRIPK2
SCHEMBL29740016 0.87 TGFBR1 (1.00) TGFBR1MAPK14THRBGAKRIPK2
SCHEMBL373314 0.87 TGFBR1 (1.00) TGFBR1MAPK14THRBGAKRIPK2
SCHEMBL410580 0.87 TGFBR1 (0.84) TGFBR1MAPK14THRBGAKRIPK2
SCHEMBL3360014 0.87 TGFBR1 (0.87) TGFBR1MAPK14THRBGAKRIPK2

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 24 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
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
CN-113347965-B TGF-beta inhibitors and prodrugs 生物医学研究机构基金会 2025-02-18 CN disclosed
US-20220089600-A1 TGFß INHIBITOR AND PRODRUGS FUNDACIÓ INSTITUT DE RECERCA BIOMÈDICA (IRB BARCELONA) (ES) 2022-03-24 US disclosed
US-20220089600-A1 TGFß INHIBITOR AND PRODRUGS FUNDACIÓ INSTITUT DE RECERCA BIOMÈDICA (IRB BARCELONA) (ES) 2022-03-24 US disclosed
EP-3883556-A2 TGF? INHIBITOR AND PRODRUGS Fundació Institut de Recerca Biomèdica IRB (Barcelona) (ES) 2021-09-29 EP disclosed
US-20160115447-A1 COMPOSITIONS AND METHODS FOR IMPROVING INDUCED NEURON GENERATION HOWARD HUGHES MEDICAL INSTITUTE 2016-04-28 US disclosed
US-20140120621-A1 TGF-BETA RECEPTOR INHIBITORS TO ENHANCE DIRECT REPROGRAMMING THE GENERAL HOSPITAL CORPORATION (US) 2014-05-01 US disclosed
US-8603818-B1 TGF-beta receptor inhibitors to enhance direct reprogramming THE GENERAL HOSPITAL CORPORATION (US) 2013-12-10 US disclosed
CN-1951939-A Novel pyrrole derivatives as pharmaceutical agents LILLY CO ELI (US) 2007-04-25 CN 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 (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-20220089600-A1 TGFß INHIBITOR AND PRODRUGS TGFB1, TGFBR1, TGFBR2 TGFBR1 2/4885MAPK14 185/4885THRB 89/4885
US-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885MAPK14 546/4885THRB 500/4885
US-20160115447-A1 COMPOSITIONS AND METHODS FOR IMPROVING INDUCED NEURON GENERATION PLK1, GAP43, NEFM TGFBR1 2217/4885MAPK14 421/4885THRB 2669/4885

“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.