SCHEMBL4387050

SCHEMBL4387050

N#CCN1CCCC(C[O])C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.38
MAOB P27338 4/20 0.35
BCHE P06276 4/20 0.33
CHRM5 P08912 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
ADRA2C P18825 1/20 0.32
DRD2 P14416 2/20 0.32
POLB P06746 1/20 0.31
BTK Q06187 1/20 0.31
MTOR P42345 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL4374422 0.86 MAOB (0.40) KDM2BMAOBBCHECHRM5CHRM2
SCHEMBL4374291 0.83 MAOB (0.38) KDM2BMAOBBCHECHRM5CHRM2
SCHEMBL17419163 0.82 POLB (0.50) KDM2BDRD2POLBDRD3
SCHEMBL663698 0.82 MAOB (0.40) KDM2BMAOBBCHECHRM5CHRM2
SCHEMBL13036986 0.81 KDM2B (0.38) KDM2BMAOBBCHECHRM5CHRM2
SCHEMBL665119 0.81 MAOB (0.38) KDM2BMAOBBCHECHRM5CHRM2
SCHEMBL3897140 0.81 CYP2D6 (0.44) KDM2BMAOBBCHECHRM5ADRA2C
SCHEMBL9824457 0.80 CHRM5 (0.53) KDM2BMAOBCHRM5CHRM2CHRM4
SCHEMBL9824752 0.80 CHRM5 (0.53) KDM2BMAOBCHRM5CHRM2CHRM4
SCHEMBL4374426 0.79 MAOB (0.40) KDM2BMAOBBCHECHRM5ADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501516-B2 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-03-10 US claimed
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-20050014773-A1 Therapeutic use ASTRAZENACA AB (SE) 2005-01-20 US claimed
US-20050009850-A1 Quinazoline compounds with therapeutic use ASTRAZENECA AB (SE) 2005-01-13 US claimed
US-20040034046-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-02-19 US claimed
EP-1381599-A1 QUINAZOLINE DERIVATIVES Astrazeneca AB (SE) 2004-01-21 EP claimed
WO-2003047585-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BENZOFURANYL SUBSTITUTED 3-CYANOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SOLID TUMOURS ASTRAZENECA AB (SE) 2003-06-12 WO claimed
WO-2003047584-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO claimed
WO-2003048159-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO claimed
WO-2003045364-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 WO claimed
EP-1313727-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-05-28 EP claimed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 WO claimed
WO-2002085895-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-10-31 WO claimed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 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 (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-20050009850-A1 Quinazoline compounds with therapeutic use CD4, HLA-DRB1, IL5 KDM2B 3170/4885MAOB 1697/4885BCHE 1434/4885
US-20050014773-A1 Therapeutic use CD4, HLA-DRB1, CD74 KDM2B 2396/4885MAOB 1600/4885BCHE 1883/4885
US-20040034046-A1 Quinazoline derivatives NQO2, NRAS, TOP1 KDM2B 3409/4885MAOB 989/4885BCHE 1971/4885

“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.