SCHEMBL2467156

SCHEMBL2467156

Clc1cnc2cncnc2n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
PIK3CG P48736 1/20 0.37
RPS6KA5 O75582 1/20 0.36
RPS6KA4 O75676 1/20 0.36
EGFR P00533 3/20 0.34
CDK2 P24941 1/20 0.32
CDC25B P30305 1/20 0.31
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL3862427 0.83 ALDH1A1 (0.41) ALDH1A1PIK3CGRPS6KA5RPS6KA4EGFR
SCHEMBL3292267 0.76 PIK3CG (0.47) ALDH1A1PIK3CGRPS6KA5RPS6KA4EGFR
SCHEMBL2011726 0.74 EGFR (0.38) PIK3CGEGFRCDK2
SCHEMBL2011723 0.74 PIK3CG (0.37) PIK3CGEGFR
SCHEMBL30211632 0.74 PIK3CG (0.37) ALDH1A1PIK3CGEGFRUSP2CYP1A2
SCHEMBL4389242 0.74 PIK3CG (0.37) PIK3CGEGFR
SCHEMBL316630 0.74 PIK3CG (0.37) PIK3CGEGFR
SCHEMBL316631 0.74 PIK3CG (0.44) PIK3CGEGFR
SCHEMBL29924424 0.74 PIK3CG (0.37) PIK3CGEGFR
SCHEMBL2629407 0.74 PIK3CG (0.37) ALDH1A1PIK3CGEGFRUSP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 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-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
US-8017612-B2 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) 2011-09-13 US disclosed
US-8017612-B2 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) 2011-09-13 US disclosed
US-8017612-B2 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) 2011-09-13 US disclosed
CN-101472902-A Novel piperazine compounds and their use as HCV polymerase inhibitors JAPAN TOBACCO INC (JP) 2009-07-01 CN disclosed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 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-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
EP-1326591-A2 COMBINATION OF STATINS AND SORBITOL DEHYDROGENASE INHIBITORS Pfizer Products Inc. (US) 2003-07-16 EP disclosed
US-6570013-B2 (4-oxo-(5-trifluoromethyl-benzothiazol-2-ylmethyl)-3,4-dihydro -phthalazin-1-yl)-acetic acid ethanolamine salt, useful for treating diabetic complication in a mammal PFIZER INC 2003-05-27 US disclosed
US-20030065179-A1 Sorbitol dehydrogenase inhibitors CHU-MOYER MARGARET Y (US) 2003-04-03 US disclosed
WO-2002098429-A1 ETHANOLAMINE, DIETHANOLAMINE OR TRIETHANOLAMINE SALT OF ZOPOLRESTAT PFIZER PRODUCTS INC. (US) 2002-12-12 WO disclosed
US-6414149-B1 TREATING DIABETES, TREATING OR PREVENTING DIABETIC COMPLICATIONS PFIZER INC. 2002-07-02 US disclosed
CN-1351497-A Aminopyrimidines as sorbitol dehydrogenase inhibitors PFIZER PROD INC (US) 2002-05-29 CN disclosed
WO-2002032411-A2 COMBINATION OF STATINS AND SORBITOL DEHYDROGENASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-04-25 WO disclosed
EP-1185275-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS Pfizer Products Inc. (US) 2002-03-13 EP disclosed
US-20010056095-A1 Salts of zopolrestat MYLARI BANAVARA L (US) 2001-12-27 US disclosed
WO-2000059510-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-10-12 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 (4 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 ALDH1A1 96/4885PIK3CG 2594/4885RPS6KA5 2784/4885
US-20010056095-A1 Salts of zopolrestat SLC5A1, SLC5A2, SLC2A1 ALDH1A1 257/4885PIK3CG 2068/4885RPS6KA5 2546/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H ALDH1A1 557/4885PIK3CG 2052/4885RPS6KA5 2391/4885
US-20030065179-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 ALDH1A1 25/4885PIK3CG 3166/4885RPS6KA5 2201/4885

“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.