Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.43 |
| ▸ | PTGES | O14684 | 1/20 | 0.42 |
| ▸ | WDR5 | P61964 | 4/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29789763 | 1.00 | CES2 (0.47) | CES2KMT2AATMCES1IDO1 | |
| Hydrochloric Acid SCHEMBL4372847 | 0.98 | CES2 (0.46) | CES2KMT2AATMCES1IDO1 | |
| SCHEMBL334641 | 0.84 | KEAP1 (0.52) | CES2KMT2AATMCES1IDO1 | |
| SCHEMBL28462767 | 0.84 | KMT2A (0.55) | CES2KMT2AATMCES1IDO1 | |
| SCHEMBL8976949 | 0.83 | CES2 (0.42) | CES2KMT2AATMCES1DGAT1 | |
| SCHEMBL3213469 | 0.82 | CES2 (0.48) | CES2KMT2AATMCES1IDO1 | |
| SCHEMBL16527182 | 0.81 | IDO1 (0.43) | CES2KMT2AATMCES1IDO1 | |
| SCHEMBL2074860 | 0.81 | KMT2A (0.49) | CES2KMT2AATMCES1IDO1 | |
| SCHEMBL679186 | 0.81 | CES2 (0.47) | CES2KMT2AATMCES1IDO1 | |
| SCHEMBL30133947 | 0.81 | KMT2A (0.49) | CES2KMT2AATMCES1IDO1 |
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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1773768-B1 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS INC (US) | 2018-08-22 | — | — | EP | claimed |
| EP-2461869-A1 | NOVEL BICYCLIC UREA COMPOUNDS | Merck Patent GmbH (DE) | 2012-06-13 | — | — | EP | claimed |
| WO-2011017142-A1 | NOVEL BICYCLIC UREA COMPOUNDS | MERCK PATENT GMBH (DE) | 2011-02-10 | — | — | WO | claimed |
| EP-2035375-B1 | 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS | GRUENENTHAL GMBH (DE) | 2011-01-19 | — | — | EP | claimed |
| EP-1377579-B1 | ACYL AND SULFONYL DERIVATIVES OF 6,9-DISUBSTITUTED 2-(TRANS-1,4-DIAMINOCYCLOHEXYL)-PURINES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS | AVENTIS PHARMA INC (US) | 2009-03-25 | — | — | EP | claimed |
| EP-1773768-A4 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS INC (US) | 2008-08-06 | — | — | EP | claimed |
| EP-1773768-A2 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | Exelixis, Inc. (US) | 2007-04-18 | — | — | EP | claimed |
| WO-2006012642-A2 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS, INC. (US) | 2006-02-02 | — | — | WO | claimed |
| US-6861524-B2 | Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents | AVENTIS PHARMACEUTICALS INC. (US) | 2005-03-01 | — | — | US | claimed |
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | claimed |
| EP-1377579-A2 | ACYL AND SULFONYL DERIVATIVES OF 6,9-DISUBSTITUTED 2-(TRANS-1,4-DIAMINOCYCLOHEXYL)-PURINES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS | Aventis Pharmaceuticals Inc. (US) | 2004-01-07 | — | — | EP | claimed |
| US-20030069259-A1 | Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents | AVENTISUB LLC | 2003-04-10 | — | — | US | claimed |
| WO-2002042303-A2 | ACYL AND SULFONYL DERIVATIVES OF 6,9-DISUBSTITUTED 2-(TRANS-1,4-DIAMINOCYCLOHEXYL)-PURINES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS | AVENTIS PHARMACEUTICALS INC. (US) | 2002-05-30 | — | — | WO | claimed |
| EP-1150565-A1 | THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION bioscience AG (DE) | 2001-11-07 | — | — | EP | claimed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | claimed |
| WO-2000045635-A1 | THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2000-08-10 | — | — | WO | claimed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | claimed |
| EP-3788043-B1 | SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME LLC (US) | 2024-11-06 | — | — | EP | disclosed |
| US-5736540-A | CONGESTIVE HEART FAILURE | AMERICAN CYANAMID COMPANY (US) | 1998-04-07 | — | — | US | disclosed |
| US-5733905-A | CONGESTIVE HEART FAILURE; KIDNEY DISORDERS | AMERICAN CYANAMID COMPANY (US) | 1998-03-31 | — | — | 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 (1 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-20030069259-A1 | Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents | BAD, BAX, MCL1 | CES2 1892/4885KMT2A 2516/4885ATM 3702/4885 |
“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.