SCHEMBL5218336

SCHEMBL5218336

COc1cc(Br)c2c(c1)OCO2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.40
ALKBH5 Q6P6C2 1/20 0.39
CALM1 P0DP23 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
MAOB P27338 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 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
SCHEMBL12586804 0.83 CYP3A4 (0.40) ALDH1A1CYP3A4SMN1; SMN2POLBALKBH5
SCHEMBL12866043 0.81 ALDH1A1 (0.42) ALDH1A1CYP3A4SMN1; SMN2POLBALKBH5
SCHEMBL1171938 0.79 ALDH1A1 (0.41) ALDH1A1CYP3A4SMN1; SMN2POLBALKBH5
SCHEMBL27533953 0.79 ALDH1A1 (0.41) ALDH1A1CYP3A4SMN1; SMN2POLBALKBH5
SCHEMBL30951061 0.79 ALDH1A1 (0.41) ALDH1A1CYP3A4SMN1; SMN2POLBALKBH5
SCHEMBL24750296 0.79 HPGD (0.36) ALDH1A1CYP3A4SMN1; SMN2POLBALKBH5
SCHEMBL31009327 0.79 HPGD (0.36) ALDH1A1CYP3A4SMN1; SMN2POLBALKBH5
SCHEMBL10044946 0.78 ALDH1A1 (0.47) ALDH1A1CYP3A4SMN1; SMN2POLBALKBH5
SCHEMBL15180075 0.77 CA1 (0.47) ALDH1A1CYP3A4SMN1; SMN2POLBALKBH5
SCHEMBL25845085 0.77 POLB (0.44) ALDH1A1CYP3A4SMN1; SMN2POLBALKBH5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453492-B1 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-01-24 EP disclosed
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 disclosed
US-7115615-B2 Quinazoline derivatives ASTRAZENECA (SE) 2006-10-03 US disclosed
US-20050014773-A1 Therapeutic use ASTRAZENACA AB (SE) 2005-01-20 US disclosed
EP-1453492-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES Astrazeneca AB (SE) 2004-09-08 EP disclosed
WO-2003045364-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 WO disclosed
EP-1313727-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-05-28 EP disclosed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO 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 (1 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-20050014773-A1 Therapeutic use CD4, HLA-DRB1, CD74 ALDH1A1 315/4885CYP3A4 2581/4885SMN1; SMN2 2546/4885

“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.