Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.50 |
| ▸ | NQO2 | P16083 | 3/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 13/20 | 0.40 |
| ▸ | PDE4A | P27815 | 11/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 9/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 9/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | VEGFA | P15692 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL730919 | 0.85 | CYP19A1 (0.50) | CYP19A1NQO2PDE4BPDE4APDE4C | |
| SCHEMBL730921 | 0.80 | NQO2 (0.49) | CYP19A1NQO2PDE4BPDE4DALDH1A1 | |
| SCHEMBL728829 | 0.78 | PDE4B (0.52) | CYP19A1NQO2PDE4BPDE4APDE4C | |
| SCHEMBL12053148 | 0.77 | NQO2 (0.47) | CYP19A1NQO2PDE4BPDE4APDE4C | |
| SCHEMBL3675552 | 0.77 | PDE4B (0.60) | PDE4BPDE4APDE4CPDE4DKMT2A | |
| SCHEMBL12053147 | 0.77 | PDE4B (0.55) | CYP19A1NQO2PDE4BPDE4APDE4C | |
| SCHEMBL728526 | 0.76 | PDE4B (0.54) | CYP19A1NQO2PDE4BPDE4APDE4C | |
| SCHEMBL730520 | 0.75 | PDE4B (0.68) | PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL4374264 | 0.73 | CCR8 (0.44) | PDE4BPDE4APDE4CPDE4DKMT2A | |
| SCHEMBL4366101 | 0.71 | ALDH1A1 (0.46) | PDE4BPDE4APDE4CPDE4DKMT2A |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9078887-B2 | Bicyclic heteroaryl inhibitors of PDE4 | KALYPSYS, INC. (US) | 2015-07-14 | — | — | US | disclosed |
| CN-104606194-A | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | SHIAU ANDREW K | 2015-05-13 | — | — | CN | disclosed |
| US-20130178498-A1 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | KALYPSYS, INC. (US) | 2013-07-11 | — | — | US | disclosed |
| US-20130116279-A1 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | KALYPSYS, INC. (US) | 2013-05-09 | — | — | US | disclosed |
| US-20130045975-A1 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | KALYPSYS, INC. (US) | 2013-02-21 | — | — | US | disclosed |
| US-8258154-B2 | Bicyclic heteroaryl inhibitors of PDE4 | KALYPSYS INC. (US) | 2012-09-04 | — | — | US | disclosed |
| EP-2467376-A1 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | Kalypsys, Inc. (US) | 2012-06-27 | — | — | EP | disclosed |
| US-8138205-B2 | Heteroarylalkoxy-substituted quinolone inhibitors of PDE4 | KALYPSYS, INC. (US) | 2012-03-20 | — | — | US | disclosed |
| US-8080563-B2 | Bicyclic heteroaryl inhibitors of PDE4 | Kalypsys (US) | 2011-12-20 | — | — | US | disclosed |
| WO-2011093924-A1 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | KALYPSYS, INC (US) | 2011-08-04 | — | — | WO | disclosed |
| US-20100081646-A1 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | KALYPSYS, INC. (US) | 2010-04-01 | — | — | US | disclosed |
| US-20100022586-A1 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | KALYPSYS, INC. (US) | 2010-01-28 | — | — | US | disclosed |
| US-20090291950-A1 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | KALYPSYS, INC. (US) | 2009-11-26 | — | — | US | disclosed |
| EP-2037924-A2 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | Govek, Steven P. (US) | 2009-03-25 | — | — | EP | disclosed |
| US-20080027099-A1 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | Govek, Steven (US) | 2008-01-31 | — | — | US | disclosed |
| WO-2008006050-A2 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | GOVEK STEVEN P (US) | 2008-01-10 | — | — | WO | disclosed |
| WO-2008006052-A2 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | GOVEK STEVEN P (US) | 2008-01-10 | — | — | 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 (7 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-20130178498-A1 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | PDE4A, PDE4B, PDE4C | CYP19A1 1277/4885NQO2 624/4885PDE4B 2/4885 |
| US-20100022586-A1 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | PDE4A, PDE4B, PDE4C | CYP19A1 1573/4885NQO2 432/4885PDE4B 2/4885 |
| US-20130045975-A1 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | PDE4A, PDE4B, PDE4C | CYP19A1 1277/4885NQO2 624/4885PDE4B 2/4885 |
| US-20080027099-A1 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | PDE4A, PDE4B, PDE4C | CYP19A1 1277/4885NQO2 624/4885PDE4B 2/4885 |
| US-20130116279-A1 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | PDE4A, PDE4B, PDE4C | CYP19A1 1277/4885NQO2 624/4885PDE4B 2/4885 |
| US-20090291950-A1 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | PDE4A, PDE4B, PDE4C | CYP19A1 1573/4885NQO2 432/4885PDE4B 2/4885 |
| US-20100081646-A1 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | PDE4A, PDE4B, PDE4C | CYP19A1 1277/4885NQO2 624/4885PDE4B 2/4885 |
“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.