Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.63 |
| ▸ | RAB9A | P51151 | 3/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | CLK1 | P49759 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.51 |
| ▸ | VNN1 | O95497 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL13641618 | 0.91 | NPC1 (0.59) | NPC1RAB9AKMT2ACLK1MAPT | |
| SCHEMBL2308761 | 0.89 | NPC1 (0.68) | NPC1RAB9AKMT2ACLK1MAPT | |
| SCHEMBL764317 | 0.87 | ALDH1A1 (0.62) | NPC1RAB9AKMT2AMAPTGAA | |
| SCHEMBL28669138 | 0.86 | NPC1 (0.55) | NPC1RAB9AKMT2ACLK1MAPT | |
| SCHEMBL4575173 | 0.85 | MAPT (0.61) | NPC1RAB9AKMT2AMAPTHDAC1 | |
| SCHEMBL1083657 | 0.83 | NPC1 (0.62) | NPC1RAB9AKMT2ACLK1MAPT | |
| SCHEMBL21327511 | 0.83 | NPC1 (0.61) | NPC1RAB9AKMT2ACLK1MAPT | |
| SCHEMBL21805769 | 0.83 | NPC1 (0.61) | NPC1RAB9AKMT2ACLK1MAPT | |
| SCHEMBL30592887 | 0.83 | NPC1 (0.61) | NPC1RAB9AKMT2ACLK1MAPT | |
| SCHEMBL1108641 | 0.82 | ATM (0.58) | KMT2AMAPTGAACLK4HPGD |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2240488-B1 | SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2016-11-02 | — | — | EP | disclosed |
| CN-101981033-B | Substituted imidazopyridazines useful as kinase inhibitors | BRISTOL MYERS SQUIBB CO | 2015-02-04 | — | — | CN | disclosed |
| US-8389527-B2 | Substituted imidazopyridazines useful as kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-03-05 | — | — | US | disclosed |
| CN-101981033-A | Substituted imidazopyridazines useful as kinase inhibitors | BRISTOL MYERS SQUIBB CO | 2011-02-23 | — | — | CN | disclosed |
| US-20100323994-A1 | SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-12-23 | — | — | US | disclosed |
| US-20100273780-A1 | SUBSTITUTED 8-HETEROARYL XANTHINES | PGXHEALTH, LLC (US) | 2010-10-28 | — | — | US | disclosed |
| US-20100273780-A1 | SUBSTITUTED 8-HETEROARYL XANTHINES | PGXHEALTH, LLC (US) | 2010-10-28 | — | — | US | disclosed |
| EP-2240488-A1 | SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2010-10-20 | — | — | EP | disclosed |
| US-7732455-B2 | Substituted 8-heteroaryl xanthines | PGX HEALTH, LLC (US) | 2010-06-08 | — | — | US | disclosed |
| US-7732455-B2 | Substituted 8-heteroaryl xanthines | PGX HEALTH, LLC (US) | 2010-06-08 | — | — | US | disclosed |
| WO-2009100375-A1 | SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-08-13 | — | — | WO | disclosed |
| US-20080200456-A1 | Substituted 8-Heteroaryl Xanthines | ALLERGAN SALES, LLC | 2008-08-21 | — | — | US | disclosed |
| US-20080200456-A1 | Substituted 8-Heteroaryl Xanthines | ALLERGAN SALES, LLC | 2008-08-21 | — | — | US | disclosed |
| US-7342006-B2 | Substituted 8-heteroaryl xanthines | ADENOSINE THERAPEUTICS, LLC (US) | 2008-03-11 | — | — | US | disclosed |
| US-7342006-B2 | Substituted 8-heteroaryl xanthines | ADENOSINE THERAPEUTICS, LLC (US) | 2008-03-11 | — | — | US | disclosed |
| EP-0000816-A1 | Substituted amino-pyridine derivatives, processes for their preparation and pharmaceutical compositions containing them | BEECHAM GROUP PLC (GB) | 1979-02-21 | — | — | EP | 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-20080200456-A1 | Substituted 8-Heteroaryl Xanthines | ADORA2B, ADORA2A, ADORA3 | NPC1 1411/4885RAB9A 2151/4885KMT2A 1888/4885 |
| US-20100323994-A1 | SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS | MAP3K5, MAP4K2, MAP3K15 | NPC1 2805/4885RAB9A 1484/4885KMT2A 929/4885 |
| US-20100273780-A1 | SUBSTITUTED 8-HETEROARYL XANTHINES | ADORA2B, ADORA2A, ADORA3 | NPC1 1411/4885RAB9A 2151/4885KMT2A 1888/4885 |
“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.