Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 3/20 | 0.40 |
| ▸ | CTSA | P10619 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | KMO | O15229 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL16173478 | 0.84 | RORC (0.44) | RORCALDH1A1CTSAKMOIRAK4 | |
| SCHEMBL2816376 | 0.84 | KMO (0.49) | RORCALDH1A1CTSAKMOIRAK4 | |
| SCHEMBL7236303 | 0.83 | CTSA (0.48) | CYP1A2CYP2C19NPC1RAB9ATP53 | |
| SCHEMBL11894231 | 0.83 | KDM4E (0.50) | CYP1A2CYP2C19NPC1RAB9ATP53 | |
| SCHEMBL2812232 | 0.82 | P2RX7 (0.46) | MAPTRORCALDH1A1CTSAKMO | |
| SCHEMBL16174387 | 0.81 | CYP1A2 (0.41) | CYP1A2CYP2C19NPC1RAB9ATP53 | |
| SCHEMBL1615811 | 0.78 | NPC1 (0.46) | CYP1A2CYP2C19NPC1RAB9ATP53 | |
| SCHEMBL31620653 | 0.78 | GRM5 (0.49) | CYP1A2SMN1; SMN2RORCALDH1A1MRGPRX4 | |
| SCHEMBL16742565 | 0.77 | MRGPRX4 (0.44) | MRGPRX4CTSAMAPK1 | |
| SCHEMBL17144343 | 0.76 | NOTUM (0.46) | CYP1A2CYP2C19NPC1RAB9ATP53 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170145011-A1 | Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels | VERTEX PHARMA (US) | 2017-05-25 | — | — | US | disclosed |
| US-9511067-B2 | Substituted spiro[piperidine-4,1'-pyrrolo[1,2-a]pyrazine]s as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-12-06 | — | — | US | disclosed |
| EP-3056495-A1 | PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Inc. (US) | 2016-08-17 | — | — | EP | disclosed |
| US-9365588-B2 | Benzoxazines as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-06-14 | — | — | US | disclosed |
| US-9365588-B2 | Benzoxazines as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-06-14 | — | — | US | disclosed |
| EP-2670752-B1 | PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | VERTEX PHARMA (US) | 2016-03-16 | — | — | EP | disclosed |
| US-20150174127-A1 | Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels | VERTEX PHARMACEUTICALS (SAN DIEGO) LLC | 2015-06-25 | — | — | US | disclosed |
| US-8916565-B2 | Pyrrolopyrazine-spirocyclic piperidine amides as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-12-23 | — | — | US | disclosed |
| US-20140309220-A1 | BENZOXAZINES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED | 2014-10-16 | — | — | US | disclosed |
| US-20140309220-A1 | BENZOXAZINES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED | 2014-10-16 | — | — | US | disclosed |
| EP-2670752-A1 | PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2013-12-11 | — | — | EP | disclosed |
| WO-2013067248-A1 | BENZOXAZINES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-10 | — | — | WO | disclosed |
| WO-2013067248-A1 | BENZOXAZINES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-10 | — | — | WO | disclosed |
| WO-2012106499-A1 | PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-08-09 | — | — | WO | disclosed |
| US-20120196869-A1 | PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED | 2012-08-02 | — | — | US | disclosed |
| WO-2010117662-A1 | MODULATORS OF S1P AND METHODS OF MAKING AND USING | EXELIXIS, INC. (US) | 2010-10-14 | — | — | WO | disclosed |
| US-20100249071-A1 | Modulators of S1P and Methods of Making And Using | EXELIXIS, INC. (US) | 2010-09-30 | — | — | US | disclosed |
| US-20100249071-A1 | Modulators of S1P and Methods of Making And Using | EXELIXIS, INC. (US) | 2010-09-30 | — | — | US | disclosed |
| US-20100249071-A1 | Modulators of S1P and Methods of Making And Using | EXELIXIS, INC. (US) | 2010-09-30 | — | — | 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 (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-20150174127-A1 | Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels | KCNJ2, KCNJ5, KCNJ1 | CYP1A2 2934/4885CYP2C19 3941/4885NPC1 692/4885 |
| US-20170145011-A1 | Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels | KCNJ2, KCNJ5, KCNJ1 | CYP1A2 2934/4885CYP2C19 3941/4885NPC1 692/4885 |
| US-20120196869-A1 | PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | KCNJ2, KCNJ5, KCNJ1 | CYP1A2 2934/4885CYP2C19 3941/4885NPC1 692/4885 |
| US-20140309220-A1 | BENZOXAZINES AS MODULATORS OF ION CHANNELS | KCNJ1, KCNJ2, KCNJ11 | CYP1A2 1118/4885CYP2C19 1657/4885NPC1 844/4885 |
| US-20100249071-A1 | Modulators of S1P and Methods of Making And Using | S1PR5, S1PR1, S1PR2 | CYP1A2 1258/4885CYP2C19 1364/4885NPC1 237/4885 |
“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.