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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 known ✓ | P00734 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | VCAM1 | P19320 | 13/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL6646572 | 0.91 | TDP1 (0.60) | TDP1VCAM1CA1CA2MMP1 | |
| SCHEMBL6961763 | 0.78 | TDP1 (0.49) | TDP1VCAM1CA1CA2MMP1 | |
| SCHEMBL4922982 | 0.77 | TDP1 (0.60) | TDP1VCAM1ALDH1A1 | |
| SCHEMBL273405 | 0.77 | TDP1 (0.60) | TDP1VCAM1CA1CA2MMP1 | |
| SCHEMBL6640405 | 0.75 | TDP1 (0.62) | TDP1VCAM1CA1CA2MMP1 | |
| SCHEMBL31514205 | 0.75 | TDP1 (0.49) | TDP1VCAM1MAPTPKMF2 | |
| SCHEMBL11164262 | 0.75 | TDP1 (0.49) | TDP1VCAM1MAPTPKMF2 | |
| SCHEMBL27215196 | 0.74 | TDP1 (0.47) | TDP1VCAM1MAPTALDH1A1 | |
| SCHEMBL5042301 | 0.74 | TDP1 (0.56) | TDP1VCAM1MAPTALDH1A1 | |
| SCHEMBL31514206 | 0.74 | TDP1 (0.56) | TDP1VCAM1MAPTALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0605499-B1 | PROCESS FOR PREPARING ENANTIOMERICALLY PURE IMIDAZO 4,5,1-jk] 1,4]-BENZODIAZEPIN-2(1H -)-THIONES | JANSSEN PHARMACEUTICA NV (BE) | 1997-11-12 | — | — | EP | disclosed |
| US-5599982-A | Process for preparing enantiomerically pure imidazo[4,5,1-JK][1,4]-benzodiazepin-2(1H)-thiones | JANSSEN PHARMACEUTICA N.V. (BE) | 1997-02-04 | — | — | US | disclosed |
| US-5543570-A | Intermediates for preparing enantiomerically pure imidazo[4,5,1-JK][1,4]-benzodiazepin-2-(1H)-thiones | JANSSEN PHARMACEUTICA N.V. (BE) | 1996-08-06 | — | — | US | disclosed |
| US-5463049-A | Process for preparing enantiomerically pure imidazo[4,5,1-JK][1,4]-benzodiazepin-2(1H)-thiones | JANSSEN PHARMACEUTICA N.V. (BE) | 1995-10-31 | — | — | US | disclosed |
| EP-0534539-A1 | Process for preparing enantiomerically pure imidazo[4,5,1-jk]-[1,4]-benzodiazepin-2(1H)-thiones | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-03-31 | — | — | EP | disclosed |