Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 7/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 7/20 | 0.40 |
| ▸ | TYMP | P19971 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 2/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.35 |
| ▸ | HEXA | P06865 | 1/20 | 0.34 |
| ▸ | HEXB | P07686 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL724597 | 0.75 | PDE3B (0.44) | PDE3BPDE3AADORA2AADORA1KDM4E | |
| SCHEMBL725716 | 0.73 | RPS6KA3 (0.46) | PDE3BPDE3AADORA2AADORA1PIK3CG | |
| SCHEMBL16652085 | 0.69 | ADORA2A (0.52) | ADORA2AADORA1HEXAHEXBKDM4E | |
| SCHEMBL29414701 | 0.65 | TYMP (0.47) | TYMPXDHNOTUMKDM4EHSD17B10 | |
| SCHEMBL30176559 | 0.63 | PRKD3 (0.64) | PDE3BPDE3ATYMP | |
| SCHEMBL27875387 | 0.62 | ADORA2A (0.38) | TYMPNOTUMADORA2AADORA1HEXA | |
| SCHEMBL28089606 | 0.61 | LMNA (0.41) | ADORA2AADORA1HEXAHEXBKDM4E | |
| SCHEMBL14933942 | 0.61 | MAPT (0.48) | PDE3BPDE3ATYMPXDHADORA2A | |
| SCHEMBL22969334 | 0.60 | ADORA2A (0.46) | NOTUMADORA2AADORA1HEXAHEXB | |
| SCHEMBL4463336 | 0.60 | HEXA (0.47) | ADORA2AADORA1HEXAHEXBALDH1A1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9814704-B2 | Substituted pyrrolo[2,3-b]pyridines as MLK inhibitors | THE UNIVERSITY OF ROCHESTER (US) | 2017-11-14 | — | — | US | disclosed |
| US-20160317509-A1 | MLK INHIBITORS AND METHODS OF USE | THE UNIVERSITY OF ROCHESTER | 2016-11-03 | — | — | US | disclosed |
| US-20160024087-A1 | MLK INHIBITORS AND METHODS OF USE | THE UNIVERSITY OF ROCHESTER | 2016-01-28 | — | — | US | disclosed |
| US-9181247-B2 | Substituted pyrrolo[2,3-B]pyridines as MLK inhibitors | THE UNIVERSITY OF ROCHESTER (US) | 2015-11-10 | — | — | US | disclosed |
| US-20150105401-A1 | MLK INHIBITORS AND METHODS OF USE | THE UNIVERSITY OF ROCHESTER (US) | 2015-04-16 | — | — | US | disclosed |
| US-8877772-B2 | Substituted pyrrolo[2,3-B]pyridines as MLK inhibitors | UNIVERSITY OF ROCHESTER (US) | 2014-11-04 | — | — | US | disclosed |
| US-8846909-B2 | Bicyclic heteroaryl kinase inhibitors and methods of use | UNIVERSITY OF ROCHESTER (US) | 2014-09-30 | — | — | US | disclosed |
| US-20130203755-A1 | BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE | UNIVERSITY OF ROCHESTER (US) | 2013-08-08 | — | — | US | disclosed |
| US-20120053175-A1 | MLK INHIBITORS AND METHODS OF USE | UNIVERSITY OF ROCHESTER (US) | 2012-03-01 | — | — | 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-20120053175-A1 | MLK INHIBITORS AND METHODS OF USE | MAP3K20, MAP3K2, MAP3K7 | PDE3B 3694/4885PDE3A 3491/4885TYMP 757/4885 |
| US-20150105401-A1 | MLK INHIBITORS AND METHODS OF USE | MAP3K20, MAP3K2, MAP3K7 | PDE3B 3694/4885PDE3A 3491/4885TYMP 757/4885 |
| US-20130203755-A1 | BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE | MAP2K2, MAP2K7, CHKB | PDE3B 3788/4885PDE3A 3484/4885TYMP 749/4885 |
| US-20160024087-A1 | MLK INHIBITORS AND METHODS OF USE | MAP3K20, MAP3K2, MAP3K7 | PDE3B 3694/4885PDE3A 3491/4885TYMP 757/4885 |
| US-20160317509-A1 | MLK INHIBITORS AND METHODS OF USE | MAP3K20, MAP3K2, MAP3K7 | PDE3B 3694/4885PDE3A 3491/4885TYMP 757/4885 |
“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.