Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.38 |
| ▸ | PKN2 | Q16513 | 3/20 | 0.38 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CHUK | O15111 | 1/20 | 0.38 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | LTK | P29376 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | PRKX | P51817 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.38 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.38 |
| ▸ | STK3 | Q13188 | 1/20 | 0.38 |
| ▸ | PRKG2 | Q13237 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3502524 | 1.00 | SMYD3 (0.41) | SMYD3ROCK2ROCK1PKN2RPS6KA5 | |
| SCHEMBL3502526 | 1.00 | SMYD3 (0.41) | SMYD3ROCK2ROCK1PKN2RPS6KA5 | |
| SCHEMBL27795399 | 1.00 | SMYD3 (0.41) | SMYD3ROCK2ROCK1PKN2RPS6KA5 | |
| SCHEMBL10257034 | 0.86 | — | — | |
| SCHEMBL15247302 | 0.85 | SMYD3 (0.40) | SMYD3ROCK2ROCK1LMNAKMT2A | |
| SCHEMBL23826183 | 0.81 | ROCK2 (0.40) | SMYD3ROCK2ROCK1PKN2RPS6KA5 | |
| SCHEMBL23826858 | 0.81 | ROCK2 (0.40) | SMYD3ROCK2ROCK1PKN2RPS6KA5 | |
| SCHEMBL23825728 | 0.81 | ROCK2 (0.40) | SMYD3ROCK2ROCK1PKN2RPS6KA5 | |
| SCHEMBL23826860 | 0.81 | ROCK2 (0.40) | SMYD3ROCK2ROCK1PKN2RPS6KA5 | |
| SCHEMBL13625350 | 0.81 | SMYD3 (0.60) | SMYD3KMT2A |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8962642-B2 | 5-cyano-4- (pyrrolo [2,3B] pyridine-3-yl) -pyrimidine derivatives useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-02-24 | — | — | US | disclosed |
| EP-2815750-A1 | 5-cyano-4-(pyrrolo [2,3b] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors | Vertex Pharmaceuticals Incorporated (US) | 2014-12-24 | — | — | EP | disclosed |
| EP-2124951-B1 | 5-CYAN0-4- (PYRROLO[2, 3B]PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMA (US) | 2014-05-21 | — | — | EP | disclosed |
| US-20140045812-A1 | 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED | 2014-02-13 | — | — | US | disclosed |
| US-8530489-B2 | 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-09-10 | — | — | US | disclosed |
| US-20120309963-A1 | 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-12-06 | — | — | US | disclosed |
| US-20120301458-A1 | CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR | AUSPEX PHARMACEUTICALS, INC. (US) | 2012-11-29 | — | — | US | disclosed |
| US-8247421-B2 | 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-08-21 | — | — | US | disclosed |
| US-20100189773-A1 | 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED | 2010-07-29 | — | — | US | disclosed |
| EP-2124951-A1 | 5-CYAN0-4- (PYRROLO Ý2, 3B¨PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008079346-A1 | 5-CYAN0-4- (PYRROLO [2, 3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-07-03 | — | — | 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 (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-20140045812-A1 | 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | MAP3K5, CDK5, MAP4K2 | SMYD3 3134/4885ROCK2 482/4885ROCK1 510/4885 |
| US-20100189773-A1 | 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | MAP3K5, CDK5, MAP3K20 | SMYD3 3233/4885ROCK2 464/4885ROCK1 481/4885 |
| US-20120301458-A1 | CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR | P2RY12, P2RY11, P2RY2 | SMYD3 4758/4885ROCK2 1371/4885ROCK1 1838/4885 |
| US-20120309963-A1 | 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | MAP3K5, CDK5, MAP4K2 | SMYD3 3134/4885ROCK2 482/4885ROCK1 510/4885 |
“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.