SCHEMBL3897140

SCHEMBL3897140

N#CCN1CCCC(CO)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KDM2B Q8NHM5 1/20 0.38
HTT P42858 1/20 0.36
MAOB P27338 2/20 0.35
LTA4H P09960 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
CD274 Q9NZQ7 1/20 0.33
BCHE P06276 1/20 0.33
KHK P50053 1/20 0.33
TYMP P19971 2/20 0.33
DPP4 P27487 1/20 0.33
CHRM5 P08912 1/20 0.32
ADRA2C P18825 1/20 0.32
DRD2 P14416 1/20 0.32
MAP4K4 O95819 1/20 0.32

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
SCHEMBL4374426 0.86 MAOB (0.40) CYP2D6KDM4EALDH1A1POLBKDM2B
SCHEMBL4374295 0.83 MAOB (0.38) CYP2D6MAPTKDM2BMAOBBCHE
SCHEMBL17419164 0.82 POLB (0.50) CYP2D6KDM4EALDH1A1POLBMAPT
SCHEMBL5552573 0.81 MAOB (0.51) CYP2D6MAPTHTTMAOBBCHE
SCHEMBL14940892 0.81 CYP2D6 (0.48) CYP2D6MAPTHTTMAOBLTA4H
SCHEMBL13036986 0.81 KDM2B (0.38) CYP2D6POLBKDM2BMAOBBCHE
SCHEMBL665119 0.81 MAOB (0.38) POLBKDM2BMAOBBCHECHRM5
SCHEMBL4387050 0.81 KDM2B (0.38) POLBKDM2BMAOBBCHECHRM5
SCHEMBL9824752 0.80 CHRM5 (0.53) KDM4EMAPTKDM2BMAOBCHRM5
SCHEMBL9824457 0.80 CHRM5 (0.53) KDM4EMAPTKDM2BMAOBCHRM5

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 82 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-2003047584-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO 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-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 CYP2D6 1074/4885KDM4E 3680/4885ALDH1A1 1602/4885
US-20050014773-A1 Therapeutic use CD4, HLA-DRB1, CD74 CYP2D6 1506/4885KDM4E 3623/4885ALDH1A1 315/4885
US-20040034046-A1 Quinazoline derivatives NQO2, NRAS, TOP1 CYP2D6 285/4885KDM4E 3684/4885ALDH1A1 1423/4885

“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.