SCHEMBL1781531

SCHEMBL1781531

Cn1c(=O)[nH]nc(Br)c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.34
ADORA2B P29275 3/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA1 P30542 1/20 0.34
PDE1A P54750 5/20 0.33
PDE1B Q01064 5/20 0.33
PDE3B Q13370 5/20 0.33
PDE1C Q14123 5/20 0.33
PDE3A Q14432 5/20 0.33
PDE5A O76074 3/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL3666602 0.76
SCHEMBL13548262 0.73 CHEK1 (0.30) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL762702 0.69
SCHEMBL24599031 0.68 CTSK (0.35) ADORA2AADORA2BADORA3ADORA1ALDH1A1
SCHEMBL21853390 0.67
SCHEMBL12297563 0.67
SCHEMBL24484066 0.66 HSD17B10 (0.47) ALDH1A1LMNAMAPTTSHRGAA
SCHEMBL6617108 0.65
SCHEMBL3584589 0.65 ADORA2B (0.42) ADORA2AADORA2BADORA3ALDH1A1CYP3A4
SCHEMBL14156244 0.64 POLB (0.33) ALDH1A1CRBNAPOBEC3G

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4735429-A1 TRIAZINE DERIVATIVES AS NLRP3 INHIBITORS F. Hoffmann-La Roche AG (CH) 2026-05-06 EP disclosed
EP-4609865-A2 NLRP3 INHIBITORS F. Hoffmann-La Roche AG (CH) 2025-09-03 EP disclosed
EP-4337652-B1 NLRP3 INHIBITORS HOFFMANN LA ROCHE (CH) 2025-04-09 EP disclosed
WO-2025003288-A1 TRIAZINE DERIVATIVES AS NLRP3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2025-01-02 WO disclosed
CN-118496165-A Difluoromethylene compound and application thereof 成都赜灵生物医药科技有限公司 2024-08-16 CN disclosed
US-20240208928-A1 NOVEL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-27 US disclosed
CN-117794910-A NLRP3 inhibitors 豪夫迈·罗氏有限公司 2024-03-29 CN disclosed
EP-4337652-A1 NLRP3 INHIBITORS F. Hoffmann-La Roche AG (CH) 2024-03-20 EP disclosed
US-11793815-B2 Oxindoles and methods of use thereof ALIGOS THERAPEUTICS, INC. (US) 2023-10-24 US disclosed
WO-2022238347-A1 NLRP3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2022-11-17 WO disclosed
US-7713971-B2 1,2,4-triazine derivatives, preparation and use thereof in human therapy PIERRE FABRE MEDICAMENT (FR) 2010-05-11 US disclosed
US-7713971-B2 1,2,4-triazine derivatives, preparation and use thereof in human therapy PIERRE FABRE MEDICAMENT (FR) 2010-05-11 US disclosed
WO-2010006962-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2010-01-21 WO disclosed
WO-2010006962-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2010-01-21 WO disclosed
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA SA (CH) 2010-01-07 US disclosed
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP disclosed
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP disclosed
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy PIERRE FABRE MEDICAMENT (FR) 2008-07-10 US disclosed
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy PIERRE FABRE MEDICAMENT (FR) 2008-07-10 US disclosed
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy PIERRE FABRE MEDICAMENT (FR) 2008-07-10 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 (4 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 ADORA2A 293/4885ADORA2B 128/4885ADORA3 151/4885
US-11793815-B2 Oxindoles and methods of use thereof CYP11B2, OXTR, CYP11B1 ADORA2A 992/4885ADORA2B 1080/4885ADORA3 1160/4885
US-20240208928-A1 NOVEL COMPOUNDS RB1, RPS4X, RPS4Y1 ADORA2A 2518/4885ADORA2B 1102/4885ADORA3 1599/4885
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy CBR3, NOX3, RTN3 ADORA2A 2196/4885ADORA2B 1684/4885ADORA3 190/4885

“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.