SCHEMBL373341

SCHEMBL373341

COC(=O)c1ccc2nccc(-c3c(-c4cccc(C)n4)nn4c3CCC4)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 1.00
MAPK14 Q16539 8/20 0.81
KDR P35968 2/20 0.81
GAK O14976 1/20 0.81
RIPK2 O43353 1/20 0.81
MAP4K4 O95819 1/20 0.81
ACVR1B P36896 1/20 0.81
TGFBR2 P37173 1/20 0.81
CSNK1A1 P48729 1/20 0.81
CSNK1D P48730 1/20 0.81
CSNK1E P49674 1/20 0.81
TGFB2 P61812 1/20 0.81
MINK1 Q8N4C8 1/20 0.81
COQ8A Q8NI60 1/20 0.81
TNIK Q9UKE5 1/20 0.81
RIPK3 Q9Y572 1/20 0.81
THRB P10828 7/20 0.69

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
SCHEMBL410442 0.93 TGFBR1 (0.88) TGFBR1MAPK14KDRGAKRIPK2
SCHEMBL414159 0.91 TGFBR1 (0.87) TGFBR1MAPK14KDRGAKRIPK2
SCHEMBL15678350 0.91 TGFBR1 (0.87) TGFBR1MAPK14KDRGAKRIPK2
Galunisertib SCHEMBL12922153 0.90 TGFBR1 (1.00) TGFBR1MAPK14KDRGAKRIPK2
Galunisertib SCHEMBL29362145 0.90 TGFBR1 (1.00) TGFBR1MAPK14KDRGAKRIPK2
SCHEMBL16695915 0.89 TGFBR1 (0.81) TGFBR1MAPK14KDRGAKRIPK2
Galunisertib SCHEMBL29438525 0.89 TGFBR1 (0.98) TGFBR1MAPK14KDRGAKRIPK2
SCHEMBL407856 0.89 TGFBR1 (0.80) TGFBR1MAPK14KDRGAKRIPK2
SCHEMBL18347825 0.88 TGFBR1 (0.78) TGFBR1MAPK14KDRGAKRIPK2
SCHEMBL29773207 0.87 TGFBR1 (0.95) TGFBR1MAPK14KDRGAKRIPK2

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 38 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
EP-1565471-B1 QUINOLINYL-PYRROLOPYRAZOLES LILLY CO ELI (US) 2006-10-04 EP disclosed
US-7087626-B2 Pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-08-08 US disclosed
US-20060040983-A1 Quinolinyl-pyrrolopyrazoles ELI LILLY AND COMPANY (US) 2006-02-23 US disclosed
EP-1565471-A1 QUINOLINYL-PYRROLOPYRAZOLES ELI LILLY AND COMPANY (US) 2005-08-24 EP disclosed
WO-2004048382-A1 QUINOLINYL-PYRROLOPYRAZOLES ELI LILLY AND COMPANY (US) 2004-06-10 WO 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 (10 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-20060040983-A1 Quinolinyl-pyrrolopyrazoles SDHA, NQO2, SDHB TGFBR1 4885/4885MAPK14 2460/4885KDR 2620/4885
US-11987558-B1 ALK5 inhibitors and their uses ALK, ALKBH3, ALKBH5 TGFBR1 106/4885MAPK14 1923/4885KDR 10/4885
US-20220249680-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 TGFBR1 528/4885MAPK14 2643/4885KDR 31/4885
US-20210299268-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 TGFBR1 528/4885MAPK14 2643/4885KDR 31/4885
US-20230090552-A1 ALK5 INHIBITOR CONJUGATES AND USES THEREOF ALK, ALKBH5, ALKBH3 TGFBR1 75/4885MAPK14 1174/4885KDR 177/4885
US-11583593-B2 Antibody-ALK5 inhibitor conjugates and their uses ALK, ALKBH5, ALKBH3 TGFBR1 528/4885MAPK14 2643/4885KDR 31/4885
US-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885MAPK14 546/4885KDR 834/4885
US-20200147234-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 TGFBR1 528/4885MAPK14 2643/4885KDR 31/4885
US-20160115447-A1 COMPOSITIONS AND METHODS FOR IMPROVING INDUCED NEURON GENERATION PLK1, GAP43, NEFM TGFBR1 2217/4885MAPK14 421/4885KDR 3849/4885
US-20230132568-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 TGFBR1 528/4885MAPK14 2643/4885KDR 31/4885

“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.