Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | AKT1 | P31749 | 13/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8790147 | 0.87 | SMN1; SMN2 (0.64) | CYP1A2SMN1; SMN2AKT1ALDH1A1GSK3B | |
| SCHEMBL7102226 | 0.80 | — | — | |
| SCHEMBL7476995 | 0.80 | SMN1; SMN2 (0.55) | CYP1A2SMN1; SMN2AKT1ALDH1A1GSK3B | |
| SCHEMBL11621435 | 0.80 | SMN1; SMN2 (0.41) | CYP1A2SMN1; SMN2AKT1ALDH1A1GSK3B | |
| SCHEMBL2643929 | 0.80 | — | — | |
| SCHEMBL12683716 | 0.80 | ALDH1A1 (0.59) | SMN1; SMN2ALDH1A1GSK3B | |
| SCHEMBL2420515 | 0.79 | CYP1A2 (0.77) | CYP1A2SMN1; SMN2AKT1ALDH1A1GSK3B | |
| SCHEMBL2511248 | 0.76 | ALDH1A1 (0.55) | CYP1A2ALDH1A1GSK3B | |
| SCHEMBL9793307 | 0.75 | CYP1A2 (0.67) | CYP1A2SMN1; SMN2AKT1ALDH1A1GSK3B | |
| SCHEMBL8103221 | 0.74 | GSK3B (0.50) | CYP1A2SMN1; SMN2AKT1ALDH1A1GSK3B |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8569331-B2 | Substituted benzo[f]lmidazo[1,2-d]pyrido[2,3-b][1,4]diazepine compounds | ARQULE, INC. (US) | 2013-10-29 | — | — | US | disclosed |
| US-8569331-B2 | Substituted benzo[f]lmidazo[1,2-d]pyrido[2,3-b][1,4]diazepine compounds | ARQULE, INC. (US) | 2013-10-29 | — | — | US | disclosed |
| US-8541407-B2 | Substituted benzo-pyrido-triazolo-diazepine compounds | ARQULE, INC. (US) | 2013-09-24 | — | — | US | disclosed |
| US-8541407-B2 | Substituted benzo-pyrido-triazolo-diazepine compounds | ARQULE, INC. (US) | 2013-09-24 | — | — | US | disclosed |
| WO-2012061342-A2 | SUBSTITUTED BENZO-IMIDAZO-PYRIDO-DIAZEPINE COMPOUNDS | ARQULE, INC. (US) | 2012-05-10 | — | — | WO | disclosed |
| US-20120108574-A1 | Substituted Benzo-Imidazo-Pyrido-Diazepine Compounds | ARQULE, INC. (US) | 2012-05-03 | — | — | US | disclosed |
| US-20120108574-A1 | Substituted Benzo-Imidazo-Pyrido-Diazepine Compounds | ARQULE, INC. (US) | 2012-05-03 | — | — | US | disclosed |
| WO-2011123678-A2 | SUBSTITUTED BENZO-PYRIDO-TRIAZOLO-DIAZEPINE COMPOUNDS | ARQULE, INC. (US) | 2011-10-06 | — | — | WO | disclosed |
| US-20110245236-A1 | Substituted Benzo-Pyrido-Triazolo-Diazepine Compounds | ARQULE, INC. (US) | 2011-10-06 | — | — | US | disclosed |
| US-20110245236-A1 | Substituted Benzo-Pyrido-Triazolo-Diazepine Compounds | ARQULE, INC. (US) | 2011-10-06 | — | — | US | disclosed |
| EP-0393530-B1 | 5,11-dihydro-6H-pyrido[2,3,-b][1,4]benzodiazepin-6-ones and -thiones and their use in the prevention or treatment of AIDS | BOEHRINGER INGELHEIM PHARMA (US) | 1994-12-28 | — | — | EP | disclosed |
| EP-0628046-A1 | TRIAZOLOPYRIMIDIN DERIVATIVES AS ANTIOTENSIN II RECEPTOR ANTAGONISTS | LABORATOIRES UPSA (FR) | 1994-12-14 | — | — | EP | disclosed |
| EP-0393530-A1 | 5,11-dihydro-6H-pyrido[2,3,-b][1,4]benzodiazepin-6-ones and -thiones and their use in the prevention or treatment of AIDS | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 1990-10-24 | — | — | 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 (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-20110245236-A1 | Substituted Benzo-Pyrido-Triazolo-Diazepine Compounds | BRD4, PDXK, THPO | CYP1A2 687/4885SMN1; SMN2 2011/4885AKT1 3428/4885 |
| US-20120108574-A1 | Substituted Benzo-Imidazo-Pyrido-Diazepine Compounds | BRD4, BRPF3, BRD3 | CYP1A2 691/4885SMN1; SMN2 1282/4885AKT1 3524/4885 |
“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.