Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL3112694 | 0.89 | ALDH1A1 (0.35) | ALDH1A1BRD4KMT2A | |
| SCHEMBL7410703 | 0.81 | ALDH1A1 (0.39) | KDM4EALDH1A1HSD17B10KMT2AHPGD | |
| SCHEMBL16503643 | 0.79 | CA1 (0.31) | ALDH1A1KMT2AMAPT | |
| SCHEMBL31079450 | 0.76 | BRD4 (0.32) | SLC6A3BRD4 | |
| SCHEMBL28133677 | 0.76 | ALDH1A1 (0.34) | KDM4EALDH1A1MAPT | |
| SCHEMBL5793953 | 0.76 | CYP2D6 (0.40) | KDM4EALDH1A1HSD17B10KMT2AHPGD | |
| SCHEMBL2708044 | 0.69 | KMT2A (0.35) | ALDH1A1BRD4KMT2A | |
| SCHEMBL29152566 | 0.69 | MAPK1 (0.41) | KDM4EMAPTMAPK1 | |
| SCHEMBL2200994 | 0.69 | ALDH1A1 (0.38) | KDM4EALDH1A1HSD17B10KMT2AHPGD | |
| SCHEMBL15188665 | 0.67 | PPM1B (0.35) | SLC6A3ALDH1A1KMT2AHPGDNPC1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3256450-B1 | SUBSTITUTED PYRAZOLE COMPOUNDS AS ROR-GAMMA-T INHIBITORS AND USES THEREOF | MERCK SHARP & DOHME (US) | 2020-12-02 | — | — | EP | disclosed |
| EP-3368516-B1 | SUBSTITUTED BICYCLIC PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF | MERCK SHARP & DOHME (US) | 2020-07-15 | — | — | EP | disclosed |
| US-10344000-B2 | Substituted bicyclic pyrazole compounds as RORgammaT inhibitors and uses thereof | MERCK SHARP & DOHME CORP. (US) | 2019-07-09 | — | — | US | disclosed |
| US-10221142-B2 | Substituted pyrazole compounds as RORgammaT inhibitors and uses thereof | MERCK SHARP & DOHME CORP. (US) | 2019-03-05 | — | — | US | disclosed |
| US-20180305320-A1 | SUBSTITUTED BICYCLIC PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF | MERCK SHARP & DOHME LLC | 2018-10-25 | — | — | US | disclosed |
| EP-3368516-A1 | SUBSTITUTED BICYCLIC PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF | Merck Sharp & Dohme Corp. (US) | 2018-09-05 | — | — | EP | disclosed |
| US-20180016239-A1 | SUBSTITUTED PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF | MERCK SHARP & DOHME LLC | 2018-01-18 | — | — | US | disclosed |
| EP-3256450-A1 | SUBSTITUTED PYRAZOLE COMPOUNDS AS RORGAMMAT INHIBITORS AND USES THEREOF | Merck Sharp & Dohme Corp. (US) | 2017-12-20 | — | — | EP | disclosed |
| WO-2017075178-A1 | SUBSTITUTED BICYCLIC PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF | MERCK SHARP & DOHME CORP. (US) | 2017-05-04 | — | — | WO | disclosed |
| WO-2016130818-A1 | SUBSTITUTED PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF | MERCK SHARP & DOHME CORP. (US) | 2016-08-18 | — | — | WO | disclosed |
| EP-2445346-A1 | OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | Genentech, Inc. (US) | 2012-05-02 | — | — | EP | disclosed |
| US-20100331305-A1 | OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2010-12-30 | — | — | US | disclosed |
| WO-2010151601-A1 | OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2010-12-29 | — | — | 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 (5 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-20100331305-A1 | OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | MTOR, PIK3CA, RICTOR | SLC6A3 3995/4885KDM4E 2554/4885ALDH1A1 4645/4885 |
| US-20180305320-A1 | SUBSTITUTED BICYCLIC PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF | RORB, RORC, RORA | SLC6A3 4230/4885KDM4E 3514/4885ALDH1A1 461/4885 |
| US-20180016239-A1 | SUBSTITUTED PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF | RORB, RORA, RORC | SLC6A3 4366/4885KDM4E 3973/4885ALDH1A1 217/4885 |
| US-10221142-B2 | Substituted pyrazole compounds as RORgammaT inhibitors and uses thereof | RORB, RORA, RORC | SLC6A3 4366/4885KDM4E 3973/4885ALDH1A1 217/4885 |
| US-10344000-B2 | Substituted bicyclic pyrazole compounds as RORgammaT inhibitors and uses thereof | RORB, RORC, RORA | SLC6A3 4230/4885KDM4E 3514/4885ALDH1A1 461/4885 |
“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.