SCHEMBL5221209

SCHEMBL5221209

N#CCCN1CCN(CCC[O])CC1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
PKM P14618 1/20 0.70
POLB P06746 2/20 0.61
MAPT P10636 6/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 4/20 0.44
TSHR P16473 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL383162 0.83
SCHEMBL1344289 0.83 ALDH1A1 (1.00) ALDH1A1PKMPOLBMAPTSMN1; SMN2
SCHEMBL1098528 0.83 ALDH1A1 (0.44) ALDH1A1PKMPOLBMAPTSMN1; SMN2
SCHEMBL10498707 0.79 ALDH1A1 (0.70) ALDH1A1PKMPOLBMAPTSMN1; SMN2
SCHEMBL5672438 0.79
SCHEMBL5218749 0.78 ALDH1A1 (0.70) ALDH1A1PKMPOLBMAPTSMN1; SMN2
SCHEMBL19089649 0.77 ALDH1A1 (0.76) ALDH1A1PKMPOLBMAPTSMN1; SMN2
SCHEMBL4495949 0.77 MAPT (0.45) ALDH1A1PKMPOLBMAPTSMN1; SMN2
SCHEMBL22691929 0.77 POLB (1.00) ALDH1A1PKMPOLBMAPTSMN1; SMN2
SCHEMBL28024564 0.77

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 4 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

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 315/4885PKM 3276/4885POLB 3897/4885

“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.