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 | |
|---|---|---|---|---|
| ▸ | F2 known ✓ | P00734 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL810729 | 0.88 | ALDH1A1 (0.67) | ALDH1A1ALOX15F2PRSS1PRSS2 | |
| Hydrochloric Acid SCHEMBL27462859 | 0.86 | ALDH1A1 (0.64) | ALDH1A1ALOX15F2PRSS1PRSS2 | |
| Phthalic Acid SCHEMBL28283849 | 0.86 | ALDH1A1 (0.70) | ALDH1A1ALOX15CA1CA2MMP1 | |
| SCHEMBL27725321 | 0.85 | ALDH1A1 (0.56) | ALDH1A1ALOX15F2PRSS1PRSS2 | |
| SCHEMBL8104027 | 0.80 | KMT2A (0.50) | ALDH1A1CA1CA2CA12CA9 | |
| SCHEMBL7902232 | 0.80 | KMT2A (0.50) | ALDH1A1CA1CA2CA12CA9 | |
| Phthalic Acid SCHEMBL184145 | 0.80 | ALDH1A1 (0.74) | ALDH1A1ALOX15F2PRSS1PRSS2 | |
| Bicarbonate SCHEMBL28388818 | 0.80 | F2 (0.52) | ALDH1A1ALOX15F2PRSS1PRSS2 | |
| Anthranilic Acid SCHEMBL16116365 | 0.79 | ALDH1A1 (0.57) | ALDH1A1ALOX15F2PRSS1PRSS2 | |
| Phthalic Acid SCHEMBL28090978 | 0.78 | ALDH1A1 (0.70) | ALDH1A1ALOX15F2PRSS1PRSS2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8232286-B2 | N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-07-31 | — | — | US | disclosed |
| US-20090156554-A1 | P13-KINASES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-06-18 | — | — | US | disclosed |
| US-20060106013-A1 | PI3-kinases | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-05-18 | — | — | 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 (2 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-20090156554-A1 | P13-KINASES | PIK3C3, PDPK1, MAP3K13 | F2 1830/4885ALDH1A1 3040/4885ALOX15 668/4885 |
| US-20060106013-A1 | PI3-kinases | PIK3C3, PIK3CB, PIK3CD | F2 2484/4885ALDH1A1 1935/4885ALOX15 838/4885 |
“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.