Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.36 |
| ▸ | PLK4 | O00444 | 1/20 | 0.36 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.36 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 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 | |
|---|---|---|---|---|
| SCHEMBL1096400 | 0.78 | ALOX5 (0.45) | ALOX5POLBLIMK1CLK4KDM4E | |
| SCHEMBL38236 | 0.75 | KDM4E (0.48) | KDM4EGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL2388664 | 0.69 | ALDH1A1 (0.39) | KDM4EGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL8114871 | 0.67 | CYP1A2 (0.37) | ALDH1A1CYP1A2KMT2AHSD17B10 | |
| SCHEMBL6313741 | 0.65 | GRIN2D (0.52) | KDM4EGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL12004982 | 0.65 | ALOX5 (0.45) | ALOX5POLBLIMK1CLK4KDM4E | |
| SCHEMBL2765738 | 0.64 | — | — | |
| SCHEMBL29196071 | 0.64 | ALDH1A1 (0.61) | POLBKDM4EMEN1TNKSALDH1A1 | |
| SCHEMBL5779689 | 0.64 | — | — | |
| SCHEMBL4207621 | 0.63 | PARP1 (0.53) | KDM4EGRIN2DGRIN3BGRIN1GRIN2A |
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 |
|---|---|---|---|---|---|---|---|
| US-9550786-B2 | 4-fluoropiperidine orexin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2017-01-24 | — | — | US | claimed |
| US-20150322074-A1 | 4-FLUOROPIPERIDINE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-11-12 | — | — | US | claimed |
| EP-1453789-A2 | N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2004-09-08 | — | — | EP | claimed |
| US-20040171881-A1 | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | PHARMACIA & UPJOHN COMPANY | 2004-09-02 | — | — | US | claimed |
| WO-2003040096-A2 | N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2003-05-15 | — | — | WO | claimed |
| US-9550786-B2 | 4-fluoropiperidine orexin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2017-01-24 | — | — | US | disclosed |
| EP-2945630-A1 | 4-FLUOROPIPERIDINE OREXIN RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2015-11-25 | — | — | EP | disclosed |
| US-20150322074-A1 | 4-FLUOROPIPERIDINE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-11-12 | — | — | US | disclosed |
| WO-2014113303-A1 | 4-FLUOROPIPERIDINE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2014-07-24 | — | — | WO | disclosed |
| EP-1928879-B1 | FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2013-02-13 | — | — | EP | disclosed |
| US-20100204212-A1 | FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS | BRISTOL-MYERS SQUIBB COMPANY | 2010-08-12 | — | — | US | disclosed |
| US-7723336-B2 | Fused heterocyclic compounds useful as kinase modulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-05-25 | — | — | US | disclosed |
| EP-1928879-A2 | FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS | Brystol-Myers Squibb Company (US) | 2008-06-11 | — | — | EP | disclosed |
| US-20080045536-A1 | FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS | BRISTOL-MYERS SQUIBB COMPANY | 2008-02-21 | — | — | US | disclosed |
| US-20070078136-A1 | Fused heterocyclic compounds useful as kinase modulators | BRISTOL-MYERS SQUIBB COMPANY | 2007-04-05 | — | — | US | disclosed |
| WO-2007038314-A2 | FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-04-05 | — | — | 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 (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-20070078136-A1 | Fused heterocyclic compounds useful as kinase modulators | MAP3K2, MAP3K3, MAP4K2 | ALOX5 4195/4885POLB 4266/4885LIMK1 715/4885 |
| US-20100204212-A1 | FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS | MAP2K2, MAP3K2, MAP4K2 | ALOX5 4414/4885POLB 3590/4885LIMK1 630/4885 |
| US-20150322074-A1 | 4-FLUOROPIPERIDINE OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, NPY4R | ALOX5 953/4885POLB 4807/4885LIMK1 4315/4885 |
| US-20040171881-A1 | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | BACE1, BACE2, PSEN1 | ALOX5 3888/4885POLB 747/4885LIMK1 4011/4885 |
| US-20080045536-A1 | FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS | MAP3K3, MAP3K2, MAP4K3 | ALOX5 4543/4885POLB 4076/4885LIMK1 681/4885 |
“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.