Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.34 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PIKFYVE | Q9Y2I7 | 1/20 | 0.32 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12497623 | 0.82 | HTR2C (0.55) | ALDH1A1POLBKDM4EHTR2CSMN1; SMN2 | |
| SCHEMBL2449506 | 0.82 | POLB (0.51) | ALDH1A1POLBKDM4EHTR2CSMN1; SMN2 | |
| SCHEMBL30648742 | 0.82 | HTR2C (0.55) | ALDH1A1POLBKDM4EHTR2CSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL31066377 | 0.81 | POLB (0.50) | ALDH1A1POLBKDM4EHTR2CSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL14763678 | 0.81 | POLB (0.50) | ALDH1A1POLBKDM4EHTR2CSMN1; SMN2 | |
| SCHEMBL1528492 | 0.75 | HTR2C (0.37) | POLBHTR2CSMN1; SMN2HSP90AA1 | |
| SCHEMBL18818489 | 0.75 | HTR2C (0.37) | POLBKDM4EHTR2CSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL2874635 | 0.73 | HTR2C (0.36) | POLBHTR2CSMN1; SMN2HSP90AA1 | |
| Hydrochloric Acid SCHEMBL21591718 | 0.73 | HTR2C (0.36) | POLBKDM4EHTR2CSMN1; SMN2 | |
| SCHEMBL30333512 | 0.72 | HTR2C (0.33) | POLBHTR2CSMN1; SMN2 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018118829-A1 | HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-06-28 | — | — | WO | disclosed |
| EP-2820017-B1 | PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES | GENENTECH INC (US) | 2016-12-21 | — | — | EP | disclosed |
| US-20160355514-A1 | PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES | VALO EARLY DISCOVERY, INC. | 2016-12-08 | — | — | US | disclosed |
| US-9458172-B2 | Pyridinyl and pyrimidinyl sulfoxide and sulfone derivatives | VALO HEALTH, INC. | 2016-10-04 | — | — | US | disclosed |
| US-20150175621-A1 | PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES | Valo Health, LLC | 2015-06-25 | — | — | US | disclosed |
| CN-104507936-A | Pyridinyl and pyrimidinyl sulfoxide and sulfone derivatives | FORMA TM LLC | 2015-04-08 | — | — | CN | disclosed |
| EP-2820017-A1 | PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES | Genentech, Inc. (US) | 2015-01-07 | — | — | EP | disclosed |
| EP-2424532-B1 | COMPOUNDS FOR INDUCING CELLULAR APOPTOSIS | QUEEN MARY & WESTFIELD COLLEGE (GB) | 2014-09-24 | — | — | EP | disclosed |
| WO-2013127267-A1 | PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES | GENENTECH, INC. (US) | 2013-09-06 | — | — | WO | disclosed |
| EP-2408762-A1 | HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF | SANOFI (FR) | 2012-01-25 | — | — | EP | disclosed |
| US-20120010241-A1 | HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF | SANOFI (FR) | 2012-01-12 | — | — | US | disclosed |
| WO-2011027081-A2 | NOVEL DERIVATIVES OF 5,6,7,8-TETRAHYDROINDOLIZINE INHIBITING HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF | SANOFI-AVENTIS (FR) | 2011-03-10 | — | — | WO | disclosed |
| WO-2011004132-A1 | NOVEL HSP90-INHIBITING INDOLE DERIVATIVES, COMPOSITIONS CONTAINING SAID DERIVATIVES, AND USE THEREOF | SANOFI-AVENTIS (FR) | 2011-01-13 | — | — | WO | disclosed |
| WO-2010106290-A1 | HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF | SANOFI-AVENTIS (FR) | 2010-09-23 | — | — | WO | disclosed |
| WO-2008149163-A2 | POTASSIUM ION CHANNEL MODULATORS AND USES THEREOF | LECTUS THERAPEUTICS LIMITED (GB) | 2008-12-11 | — | — | WO | disclosed |
| WO-2008096218-A1 | 2-AMIN0-5, 7-DIHYDR0-6H- PYRROLO [3, 4-D] PYRIMIDINE DERIVATIVES AS HSP-90 INHIBITORS FOR TREATING CANCER | PFIZER INC. (US) | 2008-08-14 | — | — | 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 (3 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-20120010241-A1 | HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF | HSP90AB2P, HSP90AB1, HSP90AA1 | ALDH1A1 2177/4885POLB 3421/4885KDM4E 4500/4885 |
| US-20160355514-A1 | PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES | TPMT, TYMS, TYMP | ALDH1A1 1332/4885POLB 752/4885KDM4E 2902/4885 |
| US-20150175621-A1 | PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES | TPMT, TYMS, TYMP | ALDH1A1 1332/4885POLB 752/4885KDM4E 2902/4885 |
“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.