Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.45 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28441873 | 0.92 | SIGMAR1 (0.66) | SIGMAR1KCNH2TAAR1HRH3 | |
| SCHEMBL164552 | 0.86 | TAAR1 (0.60) | SIGMAR1KCNH2TAAR1HRH3AOC3 | |
| SCHEMBL9670561 | 0.84 | SIGMAR1 (0.64) | SIGMAR1KCNH2TAAR1HRH3AOC3 | |
| Water SCHEMBL11773331 | 0.80 | SIGMAR1 (0.80) | SIGMAR1KCNH2TAAR1AOC3CHRM2 | |
| SCHEMBL6235411 | 0.79 | KCNH2 (0.60) | KCNH2LMNACHRM2HTR1AADRA2A | |
| SCHEMBL2883843 | 0.79 | SIGMAR1 (0.49) | SIGMAR1AOC3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11803736 | 0.78 | MAOA (0.40) | SIGMAR1LMNACHRM2ADRA2ACHRM1 | |
| SCHEMBL27723987 | 0.78 | THRA (0.41) | SIGMAR1KCNH2AOC3CHRM2HTR1A | |
| SCHEMBL9671700 | 0.77 | HRH3 (0.74) | SIGMAR1KCNH2TAAR1HRH3AOC3 | |
| SCHEMBL119103 | 0.77 | SIGMAR1 (0.83) | SIGMAR1KCNH2TAAR1AOC3CHRM2 |
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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2456435-B1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | UNIV LELAND STANFORD JUNIOR (US) | 2015-06-24 | — | — | EP | claimed |
| US-20120225862-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | AUCKLAND UNIVSERVICES LIMITED (NZ) | 2012-09-06 | — | — | US | claimed |
| EP-2456435-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | The Board of Trustees of The Leland Stanford Junior University (US) | 2012-05-30 | — | — | EP | claimed |
| WO-2011011514-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2011-01-27 | — | — | WO | claimed |
| US-20100113411-A1 | Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2010-05-06 | — | — | US | claimed |
| EP-1558600-B1 | SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT | BOEHRINGER INGELHEIM PHARMA (DE) | 2008-05-07 | — | — | EP | claimed |
| US-20060079504-A1 | Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) | 2006-04-13 | — | — | US | claimed |
| EP-1558600-A1 | SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2005-08-03 | — | — | EP | claimed |
| WO-2004037810-A1 | SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-05-06 | — | — | WO | claimed |
| US-20200109139-A1 | PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2020-04-09 | — | — | US | disclosed |
| CN-105829308-B | Isochromene derivatives as phosphoinositide 3-kinase inhibitors | 奇斯药制品公司 | 2019-03-08 | — | — | CN | disclosed |
| US-20180273531-A1 | PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2018-09-27 | — | — | US | disclosed |
| CN-104769735-B | Benzothiophene and benzothiophene derivative, organic semiconducting materials and organic transistor | DIC株式会社 | 2017-07-28 | — | — | CN | disclosed |
| US-20170029418-A1 | PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2017-02-02 | — | — | US | disclosed |
| US-20060079504-A1 | Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) | 2006-04-13 | — | — | US | disclosed |
| US-20060014768-A1 | Antiproliferative, anticancer, antitumor agents; rheumatism; N-{3-[3-cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]-phenyl}-acetamide; a p15, and/or a protein inducing action, and/or an MEK inhibitory action; side effect reduction | JAPAN TOBACCO INC. (JP) | 2006-01-19 | — | — | US | disclosed |
| WO-2005121142-A1 | 5-AMINO-2,4,7-TRIOXO-3,4,7,8-TETRAHYDRO-2H-PYRIDO’2,3-D! PYRIMIDINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF CANCER | JAPAN TOBACCO INC. (JP) | 2005-12-22 | — | — | WO | disclosed |
| CN-1671668-A | 4-(substituted aryl)-5-hydroxyisoquinolinone derivative | KYORIN SEIYAKU KK (JP) | 2005-09-21 | — | — | CN | disclosed |
| EP-1558600-A1 | SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2005-08-03 | — | — | EP | disclosed |
| WO-2004037810-A1 | SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-05-06 | — | — | 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 (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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20180273531-A1 | PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF | TYMP, TYMS, DPYD | SIGMAR1 3732/4885KCNH2 3215/4885TAAR1 2571/4885 |
| US-20120225862-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | BRDT, NISCH, PAICS | SIGMAR1 2735/4885KCNH2 738/4885TAAR1 4148/4885 |
| US-20170029418-A1 | PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF | TYMP, TYMS, DPYD | SIGMAR1 3732/4885KCNH2 3215/4885TAAR1 2571/4885 |
| US-20100113411-A1 | Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions | CALCRL, CALCR, CALCA | SIGMAR1 402/4885KCNH2 492/4885TAAR1 174/4885 |
| US-20060014768-A1 | Antiproliferative, anticancer, antitumor agents; rheumatism; N-{3-[3-cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]-phenyl}-acetamide; a p15, and/or a protein inducing action, and/or an MEK inhibitory action; side effect reduction | CDKN1A, CDK2, CDC25A | SIGMAR1 2545/4885KCNH2 2629/4885TAAR1 2290/4885 |
| US-20060079504-A1 | Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions | CALCRL, CALCR, CALCA | SIGMAR1 402/4885KCNH2 492/4885TAAR1 174/4885 |
| US-20200109139-A1 | PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF | TYMP, TYMS, DPYD | SIGMAR1 3732/4885KCNH2 3215/4885TAAR1 2571/4885 |
“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.