Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.69 |
| ▸ | POLB | P06746 | 1/20 | 0.69 |
| ▸ | CASP3 | P42574 | 1/20 | 0.69 |
| ▸ | RAB9A | P51151 | 1/20 | 0.69 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.69 |
| ▸ | BRD4 | O60885 | 16/20 | 0.67 |
| ▸ | BRD2 | P25440 | 6/20 | 0.67 |
| ▸ | CREBBP | Q92793 | 4/20 | 0.62 |
| ▸ | BRD3 | Q15059 | 2/20 | 0.54 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9657290 | 0.82 | BRD4 (0.62) | NPC1POLBCASP3RAB9ASENP7 | |
| SCHEMBL980536 | 0.82 | MAP4K4 (0.76) | NPC1POLBCASP3RAB9ASENP7 | |
| SCHEMBL16404612 | 0.82 | BRD4 (0.62) | NPC1POLBCASP3RAB9ASENP7 | |
| SCHEMBL16246450 | 0.82 | BRD4 (0.62) | NPC1POLBCASP3RAB9ASENP7 | |
| Hydrochloric Acid SCHEMBL1016039 | 0.81 | MAP4K4 (0.73) | NPC1POLBCASP3RAB9ASENP7 | |
| SCHEMBL5714189 | 0.81 | BRD4 (0.61) | NPC1POLBCASP3RAB9ASENP7 | |
| 3,5-Dimethyl-4-Phenylisoxazole SCHEMBL12134072 | 0.80 | BRD4 (1.00) | BRD4BRD2CREBBP | |
| SCHEMBL24726640 | 0.80 | BRD4 (0.78) | NPC1POLBCASP3RAB9ASENP7 | |
| SCHEMBL10145031 | 0.80 | BRD4 (0.59) | NPC1POLBCASP3RAB9ASENP7 | |
| SCHEMBL19754248 | 0.78 | BRD4 (0.67) | NPC1POLBCASP3RAB9ASENP7 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170362219-A1 | SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-12-21 | — | — | US | disclosed |
| EP-2499146-B1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO SA (CH) | 2016-09-21 | — | — | EP | disclosed |
| US-8841331-B2 | Inhibitors of human immunodeficiency virus replication | GILEAD SCIENCES, INC. (US) | 2014-09-23 | — | — | US | disclosed |
| US-8841331-B2 | Inhibitors of human immunodeficiency virus replication | GILEAD SCIENCES, INC. (US) | 2014-09-23 | — | — | US | disclosed |
| US-20130203747-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | GILEAD SCIENCES, INC. (US) | 2013-08-08 | — | — | US | disclosed |
| US-8338441-B2 | Inhibitors of human immunodeficiency virus replication | GILEAD SCIENCES, INC. (US) | 2012-12-25 | — | — | US | disclosed |
| US-8338441-B2 | Inhibitors of human immunodeficiency virus replication | GILEAD SCIENCES, INC. (US) | 2012-12-25 | — | — | US | disclosed |
| US-7989475-B2 | Substituted pyrazoles, compositions containing such compounds and methods of use | MERCK SHARP & DOHME CORP. (US) | 2011-08-02 | — | — | US | disclosed |
| US-7989475-B2 | Substituted pyrazoles, compositions containing such compounds and methods of use | MERCK SHARP & DOHME CORP. (US) | 2011-08-02 | — | — | US | disclosed |
| WO-2011058149-A1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-05-19 | — | — | WO | disclosed |
| WO-2011006935-A2 | TETRAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-01-20 | — | — | WO | disclosed |
| WO-2010130034-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-18 | — | — | WO | disclosed |
| US-20100292227-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) | 2010-11-18 | — | — | US | disclosed |
| US-20100292227-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) | 2010-11-18 | — | — | US | disclosed |
| US-20090215825-A1 | SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK SHARP & DOHME LLC | 2009-08-27 | — | — | US | disclosed |
| US-20090215825-A1 | SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK SHARP & DOHME LLC | 2009-08-27 | — | — | US | disclosed |
| US-7572922-B2 | Substituted pyrazoles, compositions containing such compounds and methods of use | MERCK & CO., INC. (US) | 2009-08-11 | — | — | US | disclosed |
| US-7572922-B2 | Substituted pyrazoles, compositions containing such compounds and methods of use | MERCK & CO., INC. (US) | 2009-08-11 | — | — | 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 (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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20170362219-A1 | SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS | RIPK3, RIPK1, RIPK4 | NPC1 4014/4885POLB 2769/4885CASP3 58/4885 |
| US-20090215825-A1 | SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | GLP1R, GCGR, GPR119 | NPC1 2328/4885POLB 4074/4885CASP3 586/4885 |
| US-20100292227-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | RTF2, REV1, RTF1 | NPC1 1129/4885POLB 76/4885CASP3 3217/4885 |
| US-20130203747-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | RTF2, REV1, RTF1 | NPC1 1129/4885POLB 76/4885CASP3 3217/4885 |
“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.