Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 2/20 | 0.40 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.37 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | CTSA | P10619 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2849396 | 0.89 | CASP1 (0.53) | MAP4K4CHEK2CHRNA7PARP1GRIN1 | |
| SCHEMBL2853110 | 0.88 | CASP1 (0.44) | CASP1PDGFRBPDGFRACTSA | |
| SCHEMBL2853101 | 0.80 | KDM4E (0.40) | MAP4K4CHEK2CHRNA7PARP1GRIN1 | |
| SCHEMBL2851116 | 0.79 | CASP1 (0.40) | CASP1CTSA | |
| SCHEMBL2851218 | 0.76 | CASP1 (0.62) | GRIN2BCASP1MAPK1RXFP1NPC1 | |
| SCHEMBL2849064 | 0.76 | CASP1 (0.40) | PARP1CASP1 | |
| SCHEMBL2853614 | 0.74 | MAP4K4 (0.40) | MAP4K4CHEK2CHRNA7PARP1ABL1 | |
| SCHEMBL2851190 | 0.72 | ALDH1A1 (0.56) | MAP4K4CHEK2CHRNA7PARP1GRIN1 | |
| SCHEMBL2849176 | 0.71 | SMN1; SMN2 (0.37) | CASP1NPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL24091708 | 0.71 | RAB9A (0.49) | NPC1TP53HPGDRAB9ASMN1; SMN2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7666883-B2 | 2-[(2-Chloro-5-methyl pyridine-3-yl)(hydroxy)methyl]acrylonitrile; against chloroquine sensitive and chloroquine resistant Plasmodium falciparum; treating malarial; chemical preparation | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2010-02-23 | — | — | US | claimed |
| EP-1924558-B1 | AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF | COUNCIL SCIENT IND RES (IN) | 2010-01-13 | — | — | EP | claimed |
| EP-1924558-A1 | AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2008-05-28 | — | — | EP | claimed |
| US-20070117822-A1 | Novel antimalarial baylis-hillman adducts and a process for the preparation thereof | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2007-05-24 | — | — | US | claimed |
| WO-2007032016-A1 | AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2007-03-22 | — | — | WO | claimed |
| US-7666883-B2 | 2-[(2-Chloro-5-methyl pyridine-3-yl)(hydroxy)methyl]acrylonitrile; against chloroquine sensitive and chloroquine resistant Plasmodium falciparum; treating malarial; chemical preparation | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2010-02-23 | — | — | US | disclosed |
| EP-1924558-B1 | AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF | COUNCIL SCIENT IND RES (IN) | 2010-01-13 | — | — | EP | disclosed |
| EP-1924558-A1 | AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2008-05-28 | — | — | EP | disclosed |
| US-20070117822-A1 | Novel antimalarial baylis-hillman adducts and a process for the preparation thereof | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2007-05-24 | — | — | US | disclosed |
| WO-2007032016-A1 | AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2007-03-22 | — | — | 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 (1 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-20070117822-A1 | Novel antimalarial baylis-hillman adducts and a process for the preparation thereof | HBS1L, SSBP1, QARS1 | MAP4K4 1160/4885CHEK2 3923/4885CHRNA7 4003/4885 |
“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.