Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.55 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.55 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.55 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | PREP | P48147 | 4/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | JAK1 | P23458 | 2/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25344924 | 0.91 | CHRM2 (0.51) | CHRM2CHRM1CHRM3HSD11B1PREP | |
| SCHEMBL15239944 | 0.82 | CHRM2 (0.60) | CHRM2CHRM1CHRM3HSD11B1PREP | |
| SCHEMBL3760131 | 0.82 | CHRM2 (0.60) | CHRM2CHRM1CHRM3HSD11B1PREP | |
| SCHEMBL18702254 | 0.81 | CHRM2 (0.51) | CHRM2CHRM1CHRM3HSD11B1PREP | |
| SCHEMBL1979233 | 0.79 | NR1H2 (0.49) | CHRM2CHRM1CHRM3PREPNR1H2 | |
| SCHEMBL26577089 | 0.79 | CHRM2 (0.57) | CHRM2CHRM1CHRM3HSD11B1PREP | |
| SCHEMBL26125418 | 0.79 | CHRM2 (0.57) | CHRM2CHRM1CHRM3HSD11B1PREP | |
| SCHEMBL2123260 | 0.79 | CHRM2 (0.75) | CHRM2CHRM1CHRM3HSD11B1PREP | |
| SCHEMBL25010681 | 0.79 | CHRM2 (0.75) | CHRM2CHRM1CHRM3HSD11B1PREP | |
| SCHEMBL30276459 | 0.79 | NR1H2 (0.55) | NR1H2GPR119HPGDHDAC1USP2 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3268004-B1 | PYRROLOPYRIDAZINE INHIBITORS OF IRAK4 ACTIVITY | MERCK SHARP & DOHME (US) | 2019-12-18 | — | — | EP | disclosed |
| US-10040798-B2 | Pyrrolopyridazine inhibitors of IRAK4 activity | MERCK SHARP & DOHME CORP. (US) | 2018-08-07 | — | — | US | disclosed |
| US-20180051029-A1 | PYRROLOPYRIDAZINE INHIBITORS OF IRAK4 ACTIVITY | MERCK SHARP & DOHME CORP. (US) | 2018-02-22 | — | — | US | disclosed |
| EP-3268004-A1 | PYRROLOPYRIDAZINE INHIBITORS OF IRAK4 ACTIVITY | Merck Sharp & Dohme Corp. (US) | 2018-01-17 | — | — | EP | disclosed |
| WO-2016144847-A1 | PYRROLOPYRIDAZINE INHIBITORS OF IRAK4 ACTIVITY | MERCK SHARP & DOHME CORP. (US) | 2016-09-15 | — | — | WO | disclosed |
| EP-2205610-B1 | THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS | HOFFMANN LA ROCHE (CH) | 2013-11-20 | — | — | EP | disclosed |
| US-8293735-B2 | Thienopyrimidine derivatives as P13K inhibitors | F. HOFFMANN-LA ROCHE AG (CH) | 2012-10-23 | — | — | US | disclosed |
| EP-2316836-A1 | Substituted diazabicycloalkane derivatives as ligands at alpha 7 nicotinic acetylcholine receptors | Abbott Laboratories (US) | 2011-05-04 | — | — | EP | disclosed |
| US-20110021496-A1 | THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-01-27 | — | — | US | disclosed |
| US-7872010-B2 | Substituted diazabicycloalkane derivatives having affinity for nicotinic acetylcholine receptors | ABBOTT LABORATORIES (US) | 2011-01-18 | — | — | US | disclosed |
| US-20080275048-A1 | Substituted Diazabicycloalkane Derivates | ABBOTT LABORATORIES (US) | 2008-11-06 | — | — | US | disclosed |
| US-7399765-B2 | Substituted diazabicycloalkane derivatives | ABBOTT LABORATORIES (US) | 2008-07-15 | — | — | US | disclosed |
| US-20080153809-A1 | NOVEL AMIDES USEFUL FOR TREATING PAIN | ABBOTT LABORATORIES (US) | 2008-06-26 | — | — | US | disclosed |
| US-7348343-B2 | Amides useful for treating pain | ABBOTT LABORATORIES INC. (US) | 2008-03-25 | — | — | US | disclosed |
| US-20070010557-A1 | Novel amides useful for treating pain | ABBVIE INC. | 2007-01-11 | — | — | US | disclosed |
| US-7129235-B2 | Amides useful for treating pain | ABBOTT LABORATORIES (US) | 2006-10-31 | — | — | US | disclosed |
| US-20050101602-A1 | For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease | ABBVIE INC. | 2005-05-12 | — | — | US | disclosed |
| US-20050080095-A1 | administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I | ABBVIE INC. | 2005-04-14 | — | — | US | disclosed |
| US-20050065178-A1 | Substituted diazabicycloakane derivatives | ABBOTT LABORATORIES | 2005-03-24 | — | — | US | disclosed |
| US-20050009841-A1 | Novel amides useful for treating pain | ABBOTT LABORATORIES | 2005-01-13 | — | — | 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 (10 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-20180051029-A1 | PYRROLOPYRIDAZINE INHIBITORS OF IRAK4 ACTIVITY | IRAK4, IRAK2, IRAK1 | CHRM2 4835/4885CHRM1 4781/4885CHRM3 4792/4885 |
| US-20050009841-A1 | Novel amides useful for treating pain | OPRL1, OPRK1, FAAH2 | CHRM2 393/4885CHRM1 430/4885CHRM3 242/4885 |
| US-10040798-B2 | Pyrrolopyridazine inhibitors of IRAK4 activity | IRAK4, IRAK2, IRAK1 | CHRM2 4835/4885CHRM1 4781/4885CHRM3 4792/4885 |
| US-20050065178-A1 | Substituted diazabicycloakane derivatives | CHRNA7, CHRNA1, CHRNA5 | CHRM2 31/4885CHRM1 26/4885CHRM3 21/4885 |
| US-20110021496-A1 | THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS | PIK3CA, PIK3CD, PIK3CB | CHRM2 4082/4885CHRM1 3161/4885CHRM3 4598/4885 |
| US-20080275048-A1 | Substituted Diazabicycloalkane Derivates | CHRNA7, CHRNA1, CHRNA2 | CHRM2 31/4885CHRM1 28/4885CHRM3 22/4885 |
| US-20050080095-A1 | administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I | TRPV1, OPRL1, TRPV6 | CHRM2 334/4885CHRM1 248/4885CHRM3 200/4885 |
| US-20070010557-A1 | Novel amides useful for treating pain | OPRL1, PDE6B, PDE6G | CHRM2 486/4885CHRM1 335/4885CHRM3 822/4885 |
| US-20080153809-A1 | NOVEL AMIDES USEFUL FOR TREATING PAIN | OPRL1, OPRK1, OPRD1 | CHRM2 136/4885CHRM1 121/4885CHRM3 319/4885 |
| US-20050101602-A1 | For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease | CHRNA7, CHRNA2, CHRNA6 | CHRM2 32/4885CHRM1 26/4885CHRM3 25/4885 |
“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.