SCHEMBL2689376

SCHEMBL2689376

COc1cc(NC(=O)Nc2cccc(CNC(=O)O)c2)ccc1-c1cnco1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 16/20 0.74
IMPDH1 P20839 7/20 0.74
AAK1 Q2M2I8 3/20 0.67
ROCK2 O75116 1/20 0.58
ROCK1 Q13464 1/20 0.58

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
SCHEMBL6496013 0.94 IMPDH2 (0.74) IMPDH2IMPDH1AAK1
SCHEMBL13917796 0.91 IMPDH2 (0.71) IMPDH2IMPDH1AAK1
SCHEMBL14039597 0.90 IMPDH2 (0.73) IMPDH2IMPDH1AAK1ROCK2ROCK1
SCHEMBL12300716 0.88 IMPDH2 (0.70) IMPDH2IMPDH1AAK1
SCHEMBL12343257 0.88 IMPDH2 (0.76) IMPDH2IMPDH1AAK1
SCHEMBL23948366 0.88 IMPDH2 (0.69) IMPDH2IMPDH1AAK1ROCK2ROCK1
SCHEMBL12828059 0.88 IMPDH2 (0.69) IMPDH2IMPDH1AAK1
SCHEMBL7214976 0.87 IMPDH2 (0.74) IMPDH2IMPDH1AAK1
SCHEMBL12344525 0.87 IMPDH2 (0.56) IMPDH2IMPDH1AAK1
SCHEMBL12342857 0.87 IMPDH2 (0.68) IMPDH2IMPDH1AAK1ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017223178-A1 TREATING VIRAL INFECTIONS WITH IMPDH INHIBITORS TREK THERAPEUTICS, PBC (US) 2017-12-28 WO disclosed
US-8268873-B2 Use of 1-Cyanobutan-2-yl-1-[3-[3-[3-methoxy-4-(oxazol-5-yl)phenyl]ureido]phenyl] ethylcarbamate, AVN 944, VX-944 VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 US disclosed
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
US-7943593-B2 Inosine-5'-monophosphate dehydrogenase (IMPDH) inhibitors comprising a substituted carbamate-functional N,N'-diphenylurea of given formula; and an apoptosis-inducing anticancer agent such as methotrexate in a synergistic mixture; treating cancer, tumors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-17 US disclosed
US-7915255-B2 Metabolism-modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2011-03-29 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20090030051-A1 Inhibitors of IMPDH enzyme VERTEX PHARMACEUTICALS INCORPORATED 2009-01-29 US disclosed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP disclosed
EP-1964561-A1 Inhibitors of IMPDH enzyme Vertex Pharmaceuticals Incorporated (US) 2008-09-03 EP disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070032497-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
US-7112600-B1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2006-09-26 US disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 US disclosed
US-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor JAPAN TOBACCO INC. (JP) 2004-04-29 US disclosed
EP-1400241-A1 FUSED CYCLIC COMPOUNDS AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-03-24 EP 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 (7 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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP IMPDH2 183/4885IMPDH1 125/4885AAK1 2278/4885
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 IMPDH2 836/4885IMPDH1 541/4885AAK1 2596/4885
US-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor HAVCR2, ZC3HAV1, POLR1C IMPDH2 322/4885IMPDH1 108/4885AAK1 1913/4885
US-20070032497-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C IMPDH2 586/4885IMPDH1 465/4885AAK1 3240/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 IMPDH2 477/4885IMPDH1 326/4885AAK1 1248/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H IMPDH2 262/4885IMPDH1 175/4885AAK1 2224/4885
US-20090030051-A1 Inhibitors of IMPDH enzyme IMPDH1, IMPDH2, IMPA1 IMPDH2 2/4885IMPDH1 1/4885AAK1 2802/4885

“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.