SCHEMBL5146384

SCHEMBL5146384

CC(=O)OC(C[O])CN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
USP2 O75604 1/20 0.44
NPC1 O15118 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
KDM4E B2RXH2 2/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SLC18A3 Q16572 1/20 0.41
HTT P42858 2/20 0.40
RAB9A P51151 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ANPEP P15144 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5217857 0.87 ALDH1A1 (0.47) ALDH1A1USP2NPC1MEN1KMT2A
SCHEMBL5144567 0.84 SLC18A3 (0.43) ALDH1A1USP2MEN1KMT2ASLC18A3
SCHEMBL12014432 0.84 ALDH1A1 (0.45) ALDH1A1USP2NPC1MEN1KMT2A
SCHEMBL5144884 0.83 ABCB1 (0.44) ALDH1A1USP2MEN1KMT2AL3MBTL1
SCHEMBL6834391 0.81 ALDH1A1 (0.43) ALDH1A1USP2NPC1MEN1KMT2A
SCHEMBL18751376 0.81 ALDH1A1 (0.43) ALDH1A1USP2NPC1MEN1KMT2A
SCHEMBL2064956 0.81 ALDH1A1 (0.51) ALDH1A1USP2NPC1MEN1KMT2A
SCHEMBL6836054 0.79 NPC1 (0.58) ALDH1A1NPC1MEN1KMT2AL3MBTL1
SCHEMBL22480297 0.77 ALDH1A1 (0.53) ALDH1A1USP2NPC1MEN1KMT2A
SCHEMBL5147209 0.76 SLC18A3 (0.39) ALDH1A1MEN1KMT2ASLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575591-A4 HETEROCYCLES AND USES THEREOF ARIAD PHARMA INC (US) 2007-09-12 EP disclosed
US-7238679-B2 Heterocycles and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2007-07-03 US disclosed
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
EP-1575591-A1 HETEROCYCLES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2005-09-21 EP disclosed
US-6939866-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2005-09-06 US disclosed
US-6849625-B2 Quinazoline derivatives with anti-tumour activity ASTRAZENECA AB (SE) 2005-02-01 US disclosed
US-20050014773-A1 Therapeutic use ASTRAZENACA AB (SE) 2005-01-20 US disclosed
US-20040171586-A1 Heterocycles and uses thereof ARIAD PHARMACEUTICALS, INC. 2004-09-02 US disclosed
WO-2004058267-A1 HETEROCYCLES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2004-07-15 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 (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-20050014773-A1 Therapeutic use CD4, HLA-DRB1, CD74 ALDH1A1 315/4885USP2 4492/4885NPC1 3182/4885
US-20040171586-A1 Heterocycles and uses thereof CBR1, CBR3, RCOR1 ALDH1A1 3956/4885USP2 4093/4885NPC1 2539/4885

“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.