SCHEMBL1576980

SCHEMBL1576980

CCc1cc(CC)nc(N)n1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.54
NOS2 P35228 1/20 0.54
HRH3 Q9Y5N1 6/20 0.53
HRH4 Q9H3N8 2/20 0.47
PDPK1 O15530 6/20 0.41
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
HEXA P06865 1/20 0.38
HEXB P07686 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37
HSP90AB1 P08238 1/20 0.36
HRH2 P25021 1/20 0.36

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
SCHEMBL6361284 0.87 NOS2 (0.59) NOS3NOS2HRH3HRH4PDPK1
SCHEMBL1577063 0.85 NOS2 (0.52) NOS3NOS2HRH3HRH4HSP90AB1
SCHEMBL718227 0.84 HSP90AB1 (0.56) NOS3NOS2HRH3HRH4KDM4E
SCHEMBL5748988 0.84 HRH3 (0.46) NOS3NOS2HRH3HRH4PDPK1
SCHEMBL218379 0.84 HRH3 (0.46) NOS3NOS2HRH3HRH4PDPK1
SCHEMBL12986265 0.80 HRH3 (0.44) NOS3NOS2HRH3HRH4PDPK1
SCHEMBL26977850 0.80 NPC1 (0.47) NOS3NOS2HRH3HRH4PDPK1
SCHEMBL10863598 0.79 NOS2 (0.57) NOS3NOS2HRH3HRH4PDPK1
SCHEMBL26069745 0.79 HSP90AA1 (0.58) NOS3NOS2HRH3HRH4PDPK1
SCHEMBL7274937 0.78 NOS2 (0.54) NOS3NOS2HRH3HRH4HEXA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
WO-2011039276-A1 OXATHIAZINYL(HET)ARYLSULFONYLUREAS, PROCESSES AND INTERMEDIATES FOR PREPARATION THEREOF AND USE THEREOF AS CROP PROTECTION AGENTS AND CROP GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2011-04-07 WO disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
US-5847126-A N-azinyl-N'-(het) arylsulphonyl-ureas BAYER AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
EP-0645386-B1 N-Azinyl-N'-(het)arylsulfonylureas as herbicides BAYER AG (DE) 1997-12-29 EP disclosed
US-5696257-A INTERMEDIATES FOR HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed
US-5580842-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-03 US disclosed
US-5476936-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-12-19 US disclosed
CN-1108656-A N-azinyl-N'-(HET)arylsulphonyl-ureas BAYER AG (DE) 1995-09-20 CN disclosed
EP-0645386-A1 N-Azinyl-N'-(het)arylsulfonylureas as herbicides BAYER AG (DE) 1995-03-29 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 NOS3 1009/4885NOS2 2066/4885HRH3 957/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 NOS3 1009/4885NOS2 2066/4885HRH3 957/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 NOS3 1009/4885NOS2 2066/4885HRH3 957/4885

“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.