SCHEMBL9074

SCHEMBL9074

CCN(CC)CCCC[O]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
NPSR1 Q6W5P4 1/20 0.38
PAOX Q6QHF9 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
SLC2A1 P11166 1/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A2 P23975 2/20 0.34
HRH1 P35367 1/20 0.34
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL6263119 0.97 PAOX (0.39) SIGMAR1NPSR1PAOXAPOBEC3AAPOBEC3G
SCHEMBL7015259 0.97 PAOX (0.39) SIGMAR1NPSR1PAOXAPOBEC3AAPOBEC3G
SCHEMBL9241 0.91
SCHEMBL3427323 0.86 KCNH2 (0.37) SIGMAR1NPSR1PAOXAPOBEC3AAPOBEC3G
SCHEMBL234338 0.84 SIGMAR1 (0.48) SIGMAR1NPSR1PAOXALDH1A1HRH4
SCHEMBL15052279 0.84 SIGMAR1 (0.48) SIGMAR1NPSR1PAOXALDH1A1HRH4
SCHEMBL2564528 0.81 SIGMAR1 (0.46) SIGMAR1PAOXALDH1A1HRH4HRH3
SCHEMBL2141035 0.81 SIGMAR1 (0.46) SIGMAR1PAOXALDH1A1HRH4HRH3
SCHEMBL2137948 0.81 SIGMAR1 (0.46) SIGMAR1PAOXALDH1A1HRH4HRH3
SCHEMBL2142541 0.81 SIGMAR1 (0.46) SIGMAR1PAOXALDH1A1HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381599-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-09-24 EP claimed
US-7223756-B2 Quinazoline compounds with therapeutic use ASTRAZENECA AB (SE) 2007-05-29 US claimed
EP-1453492-B1 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-01-24 EP claimed
US-7157467-B2 Administering compound such as 6-methoxy-4-(2,3-methylenedioxyanilino)-7-(3-morpholinopropoxy)quinazoline for therapy of an autoimmune disease or medical condition selected from transplant rejection and rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-02 US claimed
US-7141577-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2006-11-28 US claimed
EP-1409481-B1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-04 EP claimed
US-7115615-B2 Quinazoline derivatives ASTRAZENECA (SE) 2006-10-03 US claimed
US-6939866-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2005-09-06 US claimed
US-6849625-B2 Quinazoline derivatives with anti-tumour activity ASTRAZENECA AB (SE) 2005-02-01 US claimed
US-20050014773-A1 Therapeutic use ASTRAZENACA AB (SE) 2005-01-20 US claimed
US-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections G.D. SEARLE & CO. 2003-01-30 US claimed
WO-2002085895-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-10-31 WO claimed
WO-2002030924-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2002-04-18 WO claimed
WO-2002030926-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-04-18 WO claimed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO claimed
EP-0828721-B1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS SEARLE & CO (US) 2001-11-14 EP claimed
EP-1122245-A2 2-Amino-benzoxazinones for the treatment of viral infections G.D. Searle & Co. (US) 2001-08-08 EP claimed
US-5985872-A THERAPEUTIC TREATMENT OF HERPES VIRAL INFECTION G.D. SEARLE & CO. (US) 1999-11-16 US claimed
EP-0828721-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1998-03-18 EP claimed
WO-1996037485-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1996-11-28 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, HAX1 SIGMAR1 384/4885NPSR1 354/4885PAOX 1117/4885
US-20050014773-A1 Therapeutic use CD4, HLA-DRB1, CD74 SIGMAR1 717/4885NPSR1 251/4885PAOX 4472/4885

“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.