Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.38 |
| ▸ | EED | O75530 | 1/20 | 0.38 |
| ▸ | RBBP4 | Q09028 | 1/20 | 0.38 |
| ▸ | SUZ12 | Q15022 | 1/20 | 0.38 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.38 |
| ▸ | AEBP2 | Q6ZN18 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP7 | P09237 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2603248 | 0.82 | CYP1A2 (0.45) | CYP1A2CYP2C9CYP2D6EPHX1MMP1 | |
| SCHEMBL14145289 | 0.80 | EPHX2 (0.42) | CYP1A2CYP2D6EPHX1SMN1; SMN2ALDH1A1 | |
| SCHEMBL11989574 | 0.80 | EPHX2 (0.42) | CYP1A2CYP2D6EPHX1SMN1; SMN2ALDH1A1 | |
| SCHEMBL11989585 | 0.79 | POLB (0.50) | CYP2D6MMP1MMP8SMN1; SMN2ALDH1A1 | |
| SCHEMBL25123952 | 0.79 | CYP1A2 (0.42) | CYP1A2CYP2C9CYP2D6EPHX1MMP1 | |
| SCHEMBL14217174 | 0.79 | MEN1 (0.42) | CYP2D6ALDH1A1 | |
| SCHEMBL14217175 | 0.79 | DPP4 (0.42) | CYP2C9CYP2D6MMP13ALDH1A1HTT | |
| SCHEMBL14217171 | 0.77 | EPHX2 (0.45) | EPHX1ALDH1A1NPC1 | |
| SCHEMBL11990216 | 0.77 | CYP2D6 (0.44) | CYP1A2CYP2C9CYP2D6EPHX1GPR119 | |
| SCHEMBL11989598 | 0.77 | MEN1 (0.41) | CYP2D6ALDH1A1 |
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 6 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 |
| 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-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 |
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-20140045812-A1 | 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | MAP3K5, CDK5, MAP4K2 | CYP1A2 2865/4885CYP2C9 2291/4885CYP2D6 2558/4885 |
| US-20100189773-A1 | 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | MAP3K5, CDK5, MAP3K20 | CYP1A2 3123/4885CYP2C9 2626/4885CYP2D6 2882/4885 |
| US-20120309963-A1 | 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | MAP3K5, CDK5, MAP4K2 | CYP1A2 2865/4885CYP2C9 2291/4885CYP2D6 2558/4885 |
“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.