SCHEMBL221069

SCHEMBL221069

Nc1cc(Br)cc(-n2cccn2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
NOTUM Q6P988 1/20 0.42
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
G6PD P11413 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.39
TDO2 P48775 1/20 0.38
HDAC4 P56524 1/20 0.35

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
SCHEMBL17640894 0.87 NOTUM (0.48) ADORA2AADORA3ADORA2BADORA1NOTUM
SCHEMBL14955783 0.87 NOTUM (0.48) ADORA2AADORA3ADORA2BADORA1NOTUM
SCHEMBL30104024 0.79 NOTUM (0.42) ADORA2AADORA3ADORA2BADORA1NOTUM
SCHEMBL6209994 0.79 MAPT (0.43) NOTUMKDM4EALDH1A1LMNAMAPT
SCHEMBL387290 0.79 MAPT (0.47) NOTUMKDM4EALDH1A1LMNAMAPT
SCHEMBL23702605 0.79 NOTUM (0.42) ADORA2AADORA3ADORA2BADORA1NOTUM
SCHEMBL15652439 0.79 NOTUM (0.42) ADORA2AADORA3ADORA2BADORA1NOTUM
Hydrochloric Acid SCHEMBL11484961 0.77 MAPT (0.46) NOTUMKDM4EALDH1A1LMNAMAPT
SCHEMBL29080878 0.75 NOTUM (0.48) ADORA2AADORA3ADORA2BADORA1NOTUM
SCHEMBL6209396 0.75 NOTUM (0.39) ADORA2AADORA3ADORA2BADORA1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260137706-A1 METHODS OF TREATING INFLAMMATORY DISEASES INTERLINE THERAPEUTICS INC (US) 2026-05-21 US disclosed
US-12630563-B2 Macrocyclic RIP2-kinase inhibitors ONCODESIGN S.A. (FR) 2026-05-19 US disclosed
US-20260125396-A1 MACROCYCLIC RIP2-KINASE INHIBITORS ONCODESIGN S.A. (FR) 2026-05-07 US disclosed
EP-4724440-A1 METHODS OF TREATING INFLAMMATORY DISEASES Interline Therapeutics, Inc. (US) 2026-04-15 EP disclosed
CN-115698020-B Macrocyclic RIP 2-kinase inhibitors 昂科迪塞恩精密医药公司(OPM) 2025-02-25 CN disclosed
WO-2024254537-A1 METHODS OF TREATING INFLAMMATORY DISEASES INTERLINE THERAPEUTICS, INC. (US) 2024-12-12 WO disclosed
WO-2024254539-A1 METHODS OF TREATING INFLAMMATORY DISEASES INTERLINE THERAPEUTICS, INC. (US) 2024-12-12 WO disclosed
US-20230126352-A1 MACROCYCLIC RIP2-KINASE INHIBITORS ONCODESIGN SA (FR) 2023-04-27 US disclosed
US-20230126352-A1 MACROCYCLIC RIP2-KINASE INHIBITORS ONCODESIGN SA (FR) 2023-04-27 US disclosed
US-20230126352-A1 MACROCYCLIC RIP2-KINASE INHIBITORS ONCODESIGN SA (FR) 2023-04-27 US disclosed
US-20110263590-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2011-10-27 US disclosed
US-20110263590-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2011-10-27 US disclosed
US-7977340-B2 Antibacterial compositions PROLYSIS LTD. (GB) 2011-07-12 US disclosed
US-7977340-B2 Antibacterial compositions PROLYSIS LTD. (GB) 2011-07-12 US disclosed
US-7977340-B2 Antibacterial compositions PROLYSIS LTD. (GB) 2011-07-12 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
EP-2034997-A1 ANTIBACTERIAL COMPOSITIONS Prolysis Limited (GB) 2009-03-18 EP disclosed
WO-2007148093-A1 ANTIBACTERIAL COMPOSITIONS PROLYSIS LTD. (GB) 2007-12-27 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 (6 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-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 ADORA2A 1284/4885ADORA3 771/4885ADORA2B 1988/4885
US-20260137706-A1 METHODS OF TREATING INFLAMMATORY DISEASES NR3C1, CCR1, CXCR2 ADORA2A 1075/4885ADORA3 1074/4885ADORA2B 431/4885
US-20260125396-A1 MACROCYCLIC RIP2-KINASE INHIBITORS RIPK1, RIPK2, RIPK4 ADORA2A 4403/4885ADORA3 4517/4885ADORA2B 4495/4885
US-12630563-B2 Macrocyclic RIP2-kinase inhibitors RIPK1, RIPK2, RIPK3 ADORA2A 3723/4885ADORA3 3766/4885ADORA2B 4118/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 ADORA2A 2682/4885ADORA3 1485/4885ADORA2B 3460/4885
US-20230126352-A1 MACROCYCLIC RIP2-KINASE INHIBITORS RIPK2, RIPK1, RIPK3 ADORA2A 3966/4885ADORA3 4247/4885ADORA2B 4574/4885

“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.