SCHEMBL5216404

SCHEMBL5216404

COc1cc2c(c(C(=O)O)c1)OCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
CDK2 P24941 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
CYP3A4 P08684 2/20 0.42
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
TARBP2 Q15633 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
CDC25B P30305 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL5215814 0.78 NPC1 (0.44) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL18175011 0.75 MTNR1A (0.42) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL8871624 0.75 ALDH1A1 (0.43) KMT2ASMN1; SMN2ALDH1A1CDK2CYP3A4
SCHEMBL31480938 0.75 AKR1C3 (0.43) KMT2ASMN1; SMN2ALDH1A1CDK2MEN1
SCHEMBL10044946 0.75 ALDH1A1 (0.47) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL4492453 0.75 AKR1C3 (0.43) KMT2ASMN1; SMN2ALDH1A1CDK2MEN1
SCHEMBL12866043 0.74 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1CYP3A4NPC1RAB9A
SCHEMBL5218336 0.74 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1MAPTCYP3A4NPC1
SCHEMBL25845085 0.73 POLB (0.44) KMT2ASMN1; SMN2ALDH1A1CYP3A4CTNNB1
SCHEMBL30951061 0.73 ALDH1A1 (0.41) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT

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 KMT2A 2659/4885SMN1; SMN2 2546/4885ALDH1A1 315/4885

“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.