Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 9/20 | 0.52 |
| ▸ | AURKA | O14965 | 5/20 | 0.52 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.52 |
| ▸ | DKK1 | O94907 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.44 |
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 SCHEMBL3579007 | 0.98 | IKBKB (0.51) | IKBKBAURKAAURKBDKK1GSK3B | |
| SCHEMBL13440365 | 0.88 | AURKA (0.67) | IKBKBAURKAAURKBDKK1GSK3B | |
| SCHEMBL4661788 | 0.88 | IKBKB (0.67) | IKBKBAURKAAURKBDKK1GSK3B | |
| SCHEMBL27782055 | 0.84 | AURKA (0.60) | IKBKBAURKAAURKBCA12CA1 | |
| SCHEMBL13392205 | 0.81 | NPC1 (0.75) | IKBKBAURKAAURKBCA1CA2 | |
| Hydrochloric Acid SCHEMBL3299181 | 0.80 | NPC1 (0.73) | IKBKBAURKAAURKBCA1CA2 | |
| SCHEMBL27760516 | 0.79 | SCN9A (0.47) | IKBKBAURKAAURKBSCN9ANPC1 | |
| SCHEMBL9647947 | 0.78 | AURKA (0.72) | IKBKBAURKAAURKBSCN9ANPC1 | |
| SCHEMBL28805102 | 0.78 | SCN9A (0.55) | IKBKBAURKASCN9ANPC1MAPT | |
| SCHEMBL27912709 | 0.78 | NPC1 (0.72) | IKBKBAURKAAURKBGSK3BSCN9A |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100099694-A1 | 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2010-04-22 | — | — | US | disclosed |
| US-20100099694-A1 | 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2010-04-22 | — | — | US | disclosed |
| US-20100069417-A1 | NOVEL PHENYL(4-PHENYLPYRIMIDIN-2-YL)AMINE DERIVATIVES, THEIR PREPARATION, AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2010-03-18 | — | — | US | disclosed |
| US-20100069417-A1 | NOVEL PHENYL(4-PHENYLPYRIMIDIN-2-YL)AMINE DERIVATIVES, THEIR PREPARATION, AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2010-03-18 | — | — | US | disclosed |
| CN-101563336-A | Heterocyclic organic compounds for the treatment of in particular melanoma | NOVARTIS AG (CH) | 2009-10-21 | — | — | CN | disclosed |
| US-20090069360-A1 | Organic Compounds | CARAVATTI, GIORGIO (CH) | 2009-03-12 | — | — | US | disclosed |
| US-20090069360-A1 | Organic Compounds | CARAVATTI, GIORGIO (CH) | 2009-03-12 | — | — | US | disclosed |
| US-20090069360-A1 | Organic Compounds | CARAVATTI, GIORGIO (CH) | 2009-03-12 | — | — | US | disclosed |
| EP-2001864-A1 | HETEROCYCLIC ORGANIC COMPOUNDS FOR THE TREATMENT OF IN PARTICULAR MELANOMA | Novartis Pharma AG (CH) | 2008-12-17 | — | — | EP | disclosed |
| US-20080269170-A1 | Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors | SANOFI-AVENTIS (FR) | 2008-10-30 | — | — | US | disclosed |
| US-20080269170-A1 | Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors | SANOFI-AVENTIS (FR) | 2008-10-30 | — | — | US | disclosed |
| US-20080269170-A1 | Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors | SANOFI-AVENTIS (FR) | 2008-10-30 | — | — | US | disclosed |
| CN-101243071-A | 2, 4-dianilinopyrimidine derivatives, their preparation, their use as medicaments, pharmaceutical compositions and in particular as IKK inhibitors | SANOFI AVENTIS (FR) | 2008-08-13 | — | — | CN | disclosed |
| WO-2007109045-A1 | HETEROCYCLIC ORGANIC COMPOUNDS FOR THE TREATMENT OF IN PARTICULAR MELANOMA | NOVARTIS AG (CH) | 2007-09-27 | — | — | WO | disclosed |
| WO-2007109045-A1 | HETEROCYCLIC ORGANIC COMPOUNDS FOR THE TREATMENT OF IN PARTICULAR MELANOMA | NOVARTIS AG (CH) | 2007-09-27 | — | — | 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 (4 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-20100099694-A1 | 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS | CHUK, IKBKB, IKBKE | IKBKB 2/4885AURKA 637/4885AURKB 296/4885 |
| US-20100069417-A1 | NOVEL PHENYL(4-PHENYLPYRIMIDIN-2-YL)AMINE DERIVATIVES, THEIR PREPARATION, AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS | IKBKB, NFKBIA, IKBKE | IKBKB 1/4885AURKA 626/4885AURKB 328/4885 |
| US-20080269170-A1 | Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors | NFKBIA, IKBKB, IKBKE | IKBKB 2/4885AURKA 466/4885AURKB 194/4885 |
| US-20090069360-A1 | Organic Compounds | BRAF, MAP3K1, RAF1 | IKBKB 258/4885AURKA 442/4885AURKB 327/4885 |
“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.