SCHEMBL4171690

SCHEMBL4171690

COc1ccc(Br)cc1CC#N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
USP2 O75604 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 2/20 0.46
CSNK2A1 P68400 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL30454901 0.86 PYCR1 (0.51) KDM4ETDP1MEN1ALDH1A1KMT2A
SCHEMBL425131 0.86 PYCR1 (0.51) KDM4ETDP1MEN1ALDH1A1KMT2A
SCHEMBL14097987 0.84 SLC6A4 (0.43) KDM4ETDP1MEN1ALDH1A1KMT2A
SCHEMBL8709749 0.83 CSNK2A1 (0.41) KDM4ETDP1MEN1ALDH1A1KMT2A
SCHEMBL15271155 0.83 LMNA (0.50) KDM4ETDP1MEN1ALDH1A1KMT2A
SCHEMBL15271159 0.81 CSNK2A1 (0.42) KDM4ETDP1ALDH1A1MAPTHTT
SCHEMBL2990425 0.80 SLC6A4 (0.43) KDM4EMEN1ALDH1A1KMT2APOLB
SCHEMBL30861233 0.80 IDO1 (0.56) HSD17B10
SCHEMBL5479089 0.80 ACHE (0.50) KDM4ETDP1MEN1ALDH1A1KMT2A
SCHEMBL11825653 0.80 IDO1 (0.56) HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4694889-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN AGGREGATION DISEASES Acelot, Inc. (US) 2026-02-18 EP disclosed
WO-2024216203-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN AGGREGATION DISEASES ACELOT, INC. (US) 2024-10-17 WO disclosed
US-20090099167-A1 Organic compounds NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH 2009-04-16 US disclosed
US-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders SIVASANKARAN RAJEEV 2009-03-12 US disclosed
EP-1993552-A2 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2008-11-26 EP disclosed
WO-2007103432-A2 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2007-09-13 WO disclosed
EP-1708710-A1 PYRAZOLO[1,5-A]PYRIMIDIN-7-YL-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-10-11 EP disclosed
US-20050222171-A1 Organic compounds NOVARTIS AG (CH) 2005-10-06 US disclosed
WO-2005070431-A1 PYRAZOLO[1,5-A]PYRIMIDIN-7-YL-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-08-04 WO disclosed
US-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-03-24 US disclosed
US-5708020-A FOR TREATING SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1998-01-13 US disclosed
US-5604261-A HAVING HYDROXYL/ALKOXYL GROUP ORTHO TO AMIDE GROUP ON PHENYL RING; HIGH MELATONIN RECEPTOR AFFINITY ADIR ET COMPAGNIE (FR) 1997-02-18 US disclosed
US-5554642-A USE TO TREAT MAMMALS AFFLICTED WITH SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1996-09-10 US disclosed
EP-0591057-B1 Arylalkyl(thio)amides with melatonine receptor selectivity and process for their preparation ADIR (FR) 1996-07-10 EP disclosed
US-5464872-A Sleep disorders ADIR ET COMPAGNIE (FR) 1995-11-07 US disclosed
EP-0591057-A1 Arylalkyl(thio)amides with melatonine receptor selectivity and process for their preparation ADIR ET COMPAGNIE (FR) 1994-04-06 EP disclosed
US-4333759-A Herbicidal 5-cyano-2,3-dihydro-benzofuran-2-ones FISONS LIMITED (GB) 1982-06-08 US disclosed
US-4263037-A 5-Cyano-2,3-dihydrobenzofurans useful as herbicides FISONS LIMITED (GB) 1981-04-21 US disclosed
EP-0007719-A2 Cyanbenzofuran derivatives, processes for their preparation and their use in herbicidal compositions; cyanobenzene, benzodioxepine, benzodioxaphosphepine and benzodioxathiepine derivatives FBC LIMITED (GB) 1980-02-06 EP disclosed
US-3979444-A CENTRAL NERVOUS SYSTEM DEPRESSANTS, HYPOTENSIVES THE UPJOHN COMPANY (US) 1976-09-07 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-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors MAPK3, MAPK1, MAPKAPK3 KDM4E 2221/4885TDP1 1963/4885MEN1 4379/4885
US-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders EPHA5, EPHA7, EPHA1 KDM4E 2164/4885TDP1 454/4885MEN1 4377/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 KDM4E 1049/4885TDP1 504/4885MEN1 1174/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 KDM4E 1049/4885TDP1 504/4885MEN1 1174/4885

“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.