SCHEMBL411369

SCHEMBL411369

COc1cc(CNC(=O)Nc2snc(OCc3cccnc3)c2C(N)=O)cc(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 1.00
TGFBR2 P37173 1/20 1.00
NAMPT P43490 16/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL14490341 0.95 ACVR2A (0.91) ACVR2ATGFBR2NAMPTL3MBTL1KDM4E
SCHEMBL21932072 0.89 ACVR2A (0.80) ACVR2ATGFBR2NAMPTL3MBTL1
SCHEMBL411189 0.88 ACVR2A (0.79) ACVR2ATGFBR2NAMPTL3MBTL1KDM4E
SCHEMBL447681 0.88 ACVR2A (0.78) ACVR2ATGFBR2NAMPTL3MBTL1KMT2A
SCHEMBL413843 0.87 ACVR2A (0.78) ACVR2ATGFBR2NAMPTKMT2A
SCHEMBL414392 0.86 ACVR2A (0.76) ACVR2ATGFBR2NAMPTL3MBTL1KDM4E
SCHEMBL413784 0.85 ACVR2A (0.75) ACVR2ATGFBR2NAMPTALDH1A1KMT2A
SCHEMBL413360 0.85 ACVR2A (0.74) ACVR2ATGFBR2NAMPTL3MBTL1KDM4E
SCHEMBL415573 0.84 ACVR2A (0.72) ACVR2ATGFBR2NAMPTL3MBTL1TSHR
SCHEMBL411736 0.84 ACVR2A (0.72) ACVR2ATGFBR2NAMPTL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590347-A1 ISOTHIAZOLE DERIVATIVES Pfizer Products Inc. (US) 2005-11-02 EP claimed
WO-2004067530-A1 ISOTHIAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-08-12 WO claimed
US-20040147574-A1 Isothiazole derivatives PFIZER INC 2004-07-29 US claimed
US-20230132568-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES SYNTHIS THERAPEUTICS, INC. (US) 2023-05-04 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
WO-2020256721-A1 ANTIB0DY-ALK5 INHIBITOR CONJUGATES AND THEIR USES SYNTHIS, LLC (US) 2020-12-24 WO disclosed
US-20200147234-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES SYNTHIS, LLC (US) 2020-05-14 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
WO-2010033906-A2 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-03-25 WO disclosed
US-20090186076-A1 Combined Use of TGF-Beta Signaling Inhibitor and Antitumor Agent TOKYO, THE UNIVERSITY OF (JP) 2009-07-23 US disclosed
US-20090186076-A1 Combined Use of TGF-Beta Signaling Inhibitor and Antitumor Agent TOKYO, THE UNIVERSITY OF (JP) 2009-07-23 US disclosed
WO-2007070866-A2 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2007-06-21 WO disclosed
US-20070142376-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2007-06-21 US disclosed
US-20070142376-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2007-06-21 US disclosed
EP-1590347-A1 ISOTHIAZOLE DERIVATIVES Pfizer Products Inc. (US) 2005-11-02 EP disclosed
WO-2004067530-A1 ISOTHIAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-08-12 WO disclosed
US-20040147574-A1 Isothiazole derivatives PFIZER INC 2004-07-29 US 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 (8 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-20220249680-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 ACVR2A 23/4885TGFBR2 332/4885NAMPT 3258/4885
US-20070142376-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALK, ACVR1, ACVR2A ACVR2A 3/4885TGFBR2 18/4885NAMPT 3773/4885
US-20210299268-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 ACVR2A 23/4885TGFBR2 332/4885NAMPT 3258/4885
US-20040147574-A1 Isothiazole derivatives SMAD3, SMAD2, TGFBR1 ACVR2A 85/4885TGFBR2 4/4885NAMPT 1689/4885
US-11583593-B2 Antibody-ALK5 inhibitor conjugates and their uses ALK, ALKBH5, ALKBH3 ACVR2A 23/4885TGFBR2 332/4885NAMPT 3258/4885
US-20200147234-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 ACVR2A 23/4885TGFBR2 332/4885NAMPT 3258/4885
US-20230132568-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 ACVR2A 23/4885TGFBR2 332/4885NAMPT 3258/4885
US-20090186076-A1 Combined Use of TGF-Beta Signaling Inhibitor and Antitumor Agent TGFB1, TGFB2, TGFBR1 ACVR2A 49/4885TGFBR2 5/4885NAMPT 3375/4885

“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.