Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 8/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.62 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.62 |
| ▸ | MAPT | P10636 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | PKM | P14618 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.57 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.57 |
| ▸ | APP | P05067 | 1/20 | 0.53 |
| ▸ | GSK3B | P49841 | 1/20 | 0.53 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.49 |
| ▸ | CTSL | P07711 | 1/20 | 0.49 |
| ▸ | CTSB | P07858 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3595951 | 1.00 | CYP1A1 (0.62) | CYP1A1CYP1A2CYP1B1MAPTALDH1A1 | |
| SCHEMBL17824546 | 0.82 | LMNA (0.77) | CYP1A1CYP1A2CYP1B1MAPTALDH1A1 | |
| SCHEMBL17824538 | 0.82 | LMNA (0.77) | CYP1A1CYP1A2CYP1B1MAPTALDH1A1 | |
| SCHEMBL3600603 | 0.81 | CYP1A1 (0.59) | CYP1A1CYP1A2CYP1B1MAPTALDH1A1 | |
| SCHEMBL3600600 | 0.81 | CYP1A1 (0.59) | CYP1A1CYP1A2CYP1B1MAPTALDH1A1 | |
| SCHEMBL3597959 | 0.80 | MAPT (0.72) | CYP1A1CYP1A2CYP1B1MAPTALDH1A1 | |
| SCHEMBL3597965 | 0.80 | MAPT (0.72) | CYP1A1CYP1A2CYP1B1MAPTALDH1A1 | |
| SCHEMBL3598073 | 0.78 | APP (0.64) | CYP1A1CYP1A2CYP1B1MAPTALDH1A1 | |
| SCHEMBL3598076 | 0.78 | APP (0.64) | CYP1A1CYP1A2CYP1B1MAPTALDH1A1 | |
| SCHEMBL3596015 | 0.77 | ALDH1A1 (0.60) | CYP1A1CYP1A2CYP1B1MAPTALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7795249-B2 | Certain pyrazoline derivatives with kinase inhibitory activity | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-09-14 | — | — | US | disclosed |
| US-7795249-B2 | Certain pyrazoline derivatives with kinase inhibitory activity | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-09-14 | — | — | US | disclosed |
| US-7795249-B2 | Certain pyrazoline derivatives with kinase inhibitory activity | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-09-14 | — | — | US | disclosed |
| US-20080171754-A1 | Certain pyrazoline derivatives with kinase inhibitory activity | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-07-17 | — | — | US | disclosed |
| US-20080171754-A1 | Certain pyrazoline derivatives with kinase inhibitory activity | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-07-17 | — | — | US | disclosed |
| US-20080171754-A1 | Certain pyrazoline derivatives with kinase inhibitory activity | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-07-17 | — | — | US | disclosed |
| WO-2008079277-A1 | CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-07-03 | — | — | 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-20080171754-A1 | Certain pyrazoline derivatives with kinase inhibitory activity | MAP3K5, MAP4K5, MAP3K20 | CYP1A1 3298/4885CYP1A2 2231/4885CYP1B1 2718/4885 |
“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.