Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 known ✓ | P00519 | 2/20 | 0.37 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.37 |
| ▸ | PDGFRB known ✓ | P09619 | 1/20 | 0.37 |
| ▸ | KIT known ✓ | P10721 | 1/20 | 0.37 |
| ▸ | BRAF known ✓ | P15056 | 1/20 | 0.37 |
| ▸ | FLT1 known ✓ | P17948 | 1/20 | 0.37 |
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.37 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 9/20 | 0.42 |
| ▸ | MAPK12 | P53778 | 6/20 | 0.42 |
| ▸ | HCK | P08631 | 5/20 | 0.42 |
| ▸ | SRC | P12931 | 4/20 | 0.42 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.39 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.39 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.39 |
| ▸ | MAPK13 | O15264 | 3/20 | 0.38 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.38 |
| ▸ | TNF | P01375 | 3/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | RAF1 | P04049 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4467863 | 0.97 | MAPK14 (0.44) | MAPK14MAPK12HCKSRCKCNJ6 | |
| SCHEMBL4468014 | 0.92 | MAPK14 (0.51) | MAPK14MAPK12HCKSRCKCNJ6 | |
| SCHEMBL4466608 | 0.89 | MAPK14 (0.53) | MAPK14MAPK12HCKSRCKCNJ6 | |
| SCHEMBL4466152 | 0.86 | GPR119 (0.36) | MAPK14MAPK12HCKSRCGPR119 | |
| SCHEMBL4466421 | 0.85 | MAPK14 (0.52) | MAPK14MAPK12HCKSRCMAPK13 | |
| SCHEMBL4461487 | 0.79 | MAPK14 (0.51) | MAPK14MAPK12HCKSRCKCNJ6 | |
| SCHEMBL4468019 | 0.79 | KCNJ6 (0.41) | MAPK14MAPK12HCKSRCKCNJ6 | |
| SCHEMBL13708144 | 0.78 | MAPK14 (0.57) | MAPK14MAPK12HCKSRCKCNJ6 | |
| Hydrochloric Acid SCHEMBL4465045 | 0.77 | MAPK14 (0.56) | MAPK14MAPK12HCKSRCKCNJ6 | |
| SCHEMBL4481647 | 0.77 | MAPK14 (0.47) | MAPK14MAPK12HCKSRCMAPK13 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7582638-B2 | Pyrazole-isoquinoline urea derivatives as p38 kinase inhibitors | ELI LILLY AND COMPANY (US) | 2009-09-01 | — | — | US | disclosed |
| US-20080275056-A1 | With improved potency and greater bioavailability; 1-{1-[1-(1-Methyl-cyclopropanecarbonyl)-piperidin-4-yloxy]-isoquinolin-4-yl}-3-[5-(1-methyl-cyclopropyl)-2-p-tolyl-2H-pyrazol-3-yl]-urea; antimetastasis and antineoplastic agents, rheumatoid arthritis | ELI LILLY AND COMPANY | 2008-11-06 | — | — | 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 (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-20080275056-A1 | With improved potency and greater bioavailability; 1-{1-[1-(1-Methyl-cyclopropanecarbonyl)-piperidin-4-yloxy]-isoquinolin-4-yl}-3-[5-(1-methyl-cyclopropyl)-2-p-tolyl-2H-pyrazol-3-yl]-urea; antimetastasis and antineoplastic agents, rheumatoid arthritis | CNKSR1, CHUK, SLC14A1 | ABL1 161/4885EGFR 1174/4885PDGFRB 2676/4885 |
“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.