Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.39 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | AR | P10275 | 4/20 | 0.39 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | KDM1A | O60341 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | CDK1 | P06493 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
| ▸ | AKT1 | P31749 | 1/20 | 0.30 |
| ▸ | AKT2 | P31751 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL19029428 | 0.98 | NOS3 (0.38) | NOS3NOS2ARNUDT1IDO1 | |
| SCHEMBL295096 | 0.83 | AR (0.41) | NOS3NOS2ARIDO1KDM4E | |
| SCHEMBL29839612 | 0.83 | AR (0.41) | NOS3NOS2ARIDO1KDM4E | |
| SCHEMBL567909 | 0.81 | AR (0.38) | NOS3NOS2ARNUDT1IDO1 | |
| Bromide SCHEMBL15414765 | 0.81 | AR (0.40) | NOS3NOS2ARIDO1KDM4E | |
| SCHEMBL14636523 | 0.79 | NOS3 (0.39) | NOS3NOS2ARIDO1ALOX5AP | |
| SCHEMBL218725 | 0.79 | AR (0.45) | NOS3NOS2ARIDO1ADRB2 | |
| SCHEMBL30847943 | 0.79 | AR (0.45) | NOS3NOS2ARIDO1ADRB2 | |
| SCHEMBL568539 | 0.79 | AR (0.36) | NOS3NOS2ARIDO1NOS1 | |
| SCHEMBL29386797 | 0.78 | NOS3 (0.57) | NOS3NOS2IDO1ADRB2 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018234354-A1 | NOVEL SUBSTITUTED 3-INDOLE AND 3-INDAZOLE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS | Grünenthal GmbH (DE) | 2018-12-27 | — | — | WO | disclosed |
| WO-2018234353-A1 | NOVEL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS | Grünenthal GmbH (DE) | 2018-12-27 | — | — | WO | disclosed |
| WO-2017108204-A1 | NOVEL SUBSTITUTED SPIRO-[INDOLINE HETEROCYCLOALKANE] COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS | Grünenthal GmbH (DE) | 2017-06-29 | — | — | WO | disclosed |
| EP-2346868-B1 | AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2016-01-27 | — | — | EP | disclosed |
| US-8927550-B2 | Heterocyclic compounds as CCR1 receptor antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-01-06 | — | — | US | disclosed |
| EP-2493875-B1 | HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2014-08-06 | — | — | EP | disclosed |
| US-8338610-B2 | Pyridinyl compounds useful as intermediates | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-12-25 | — | — | US | disclosed |
| US-20120270879-A1 | Heterocyclic Compounds As CCR1 Receptor Antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-10-25 | — | — | US | disclosed |
| US-20120136158-A1 | Pyridinyl Compounds Useful As Intermediates | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-05-31 | — | — | US | disclosed |
| US-8163918-B2 | Azaindazole compounds as CCR1 receptor antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-04-24 | — | — | US | disclosed |
| US-20120035370-A1 | Azaindazole Compounds As CCR1 Receptor Antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-02-09 | — | — | US | disclosed |
| US-8063065-B2 | Azaindazole compounds as CCR1 receptor antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-11-22 | — | — | US | disclosed |
| CN-102227425-A | Azaindazole compounds as ccr1 receptor antagonists | BOEHRINGER INGELHEIM INT | 2011-10-26 | — | — | CN | disclosed |
| US-20110086846-A1 | Azaindazole Compounds As CCR1 Receptor Antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-04-14 | — | — | US | disclosed |
| US-7879873-B2 | Azaindazole compounds as CCR1 receptor antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-02-01 | — | — | US | disclosed |
| US-20100093724-A1 | Azaindazole Compounds As CCR1 Receptor Antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-15 | — | — | 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-20110086846-A1 | Azaindazole Compounds As CCR1 Receptor Antagonists | CCR1, CCR3, CCR4 | NOS3 1730/4885NOS2 2353/4885AR 1940/4885 |
| US-20100093724-A1 | Azaindazole Compounds As CCR1 Receptor Antagonists | CCR1, CCR3, CCR4 | NOS3 1730/4885NOS2 2353/4885AR 1940/4885 |
| US-20120270879-A1 | Heterocyclic Compounds As CCR1 Receptor Antagonists | CCR1, CCRL2, CCR3 | NOS3 4048/4885NOS2 4599/4885AR 32/4885 |
| US-20120136158-A1 | Pyridinyl Compounds Useful As Intermediates | CCR1, CCRL2, CCR4 | NOS3 1474/4885NOS2 1628/4885AR 4299/4885 |
| US-20120035370-A1 | Azaindazole Compounds As CCR1 Receptor Antagonists | CCR1, CCR3, CCR4 | NOS3 1543/4885NOS2 2169/4885AR 1887/4885 |
“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.