Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 5/20 | 0.38 |
| ▸ | EGFR | P00533 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.37 |
| ▸ | FLT1 | P17948 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 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 | |
|---|---|---|---|---|
| SCHEMBL13992153 | 0.73 | NPSR1 (0.57) | NPSR1GPR17HSD17B10EGFRPARP1 | |
| SCHEMBL6745179 | 0.72 | KMT2A (0.46) | NPSR1GPR17CYP1A2HSD17B10FFAR1 | |
| SCHEMBL20968076 | 0.71 | ALDH1A1 (0.39) | NPSR1ALDH1A1 | |
| SCHEMBL21064333 | 0.69 | KDM4E (0.46) | NPSR1CYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL11908468 | 0.69 | NPSR1 (0.47) | NPSR1FFAR1EGFRPARP1PARP2 | |
| SCHEMBL4963798 | 0.68 | FLT1 (0.53) | NPSR1GPR17EGFRPARP1FLT1 | |
| SCHEMBL5831608 | 0.68 | NPSR1 (0.46) | NPSR1GPR17FFAR1EGFRFFAR4 | |
| SCHEMBL6220712 | 0.67 | GPR17 (0.50) | NPSR1GPR17CYP1A2CYP2C9HSD17B10 | |
| SCHEMBL13992155 | 0.67 | F13A1 (0.46) | NPSR1CYP1A2HSD17B10EGFRALDH1A1 | |
| SCHEMBL3415097 | 0.67 | NPSR1 (0.48) | NPSR1FFAR1FFAR4KEAP1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7223783-B2 | For example, 3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-1H-pyrrol-3-yl]-N-methyl-N-(2-methylaminoethyl)-propionamide; tyrosine kinase inhibitors used to treat various kinds of cancer | THERAVANCE, INC. (US) | 2007-05-29 | — | — | US | disclosed |
| US-20060142281-A1 | Indolinone derivatives | THERAVANCE BIOPHARMA R&D IP, LLC | 2006-06-29 | — | — | US | disclosed |
| US-7060703-B2 | Indolinone derivatives | THERAVANCE, INC. (US) | 2006-06-13 | — | — | US | disclosed |
| EP-1458713-B1 | INDOLINONE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | THERAVANCE INC (US) | 2005-08-24 | — | — | EP | disclosed |
| US-20040198804-A1 | i.e., 3-[3,5-dimethyl-4-[3-oxo-3-(piperazin-1-ylpropyl]-1H-pyrrol-2-ylmethylene]-1,3-dihydroindol-2-one, in which the piperazine may be 4-substituted with methyl or ethyl and salts are tyrosine kinase inhibitors used to treat various kinds of cancer | THERAVANCE BIOPHARMA R&D IP, LLC | 2004-10-07 | — | — | US | disclosed |
| EP-1458713-A1 | INDOLINONE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | Theravance, Inc. (US) | 2004-09-22 | — | — | EP | disclosed |
| US-6686362-B2 | TYROSINE KINASE INHIBITORS | THERAVANCE, INC. | 2004-02-03 | — | — | US | disclosed |
| US-20030171378-A1 | Indolinone derivatives | THERAVANCE BIOPHARMA R&D IP, LLC | 2003-09-11 | — | — | US | disclosed |
| WO-2003057690-A1 | INDOLINONE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | THERAVANCE, INC. (US) | 2003-07-17 | — | — | 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 (3 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-20030171378-A1 | Indolinone derivatives | ERBB2, IGF1R, ERBB4 | NPSR1 692/4885GPR17 1131/4885CYP1A2 661/4885 |
| US-20060142281-A1 | Indolinone derivatives | IGF1R, ERBB2, CDK2 | NPSR1 545/4885GPR17 1110/4885CYP1A2 975/4885 |
| US-20040198804-A1 | i.e., 3-[3,5-dimethyl-4-[3-oxo-3-(piperazin-1-ylpropyl]-1H-pyrrol-2-ylmethylene]-1,3-dihydroindol-2-one, in which the piperazine may be 4-substituted with methyl or ethyl and salts are tyrosine kinase inhibitors used to treat various kinds of cancer | ERBB2, RET, ERBB4 | NPSR1 1564/4885GPR17 1029/4885CYP1A2 1247/4885 |
“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.