SCHEMBL5144569

SCHEMBL5144569

CC(=O)OC(CO)CN1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ATM Q13315 1/20 0.44
SLC18A3 Q16572 1/20 0.43
ABCB1 P08183 4/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PRKCA P17252 2/20 0.37
POLB P06746 1/20 0.37
DRD4 P21917 1/20 0.37
SLC6A2 P23975 1/20 0.37
CCKAR P32238 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
SCN1A P35498 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL5214576 0.98 ABCB1 (0.44) MAPTATMSLC18A3ABCB1ALDH1A1
SCHEMBL5144567 0.85 SLC18A3 (0.43) MAPTSLC18A3ABCB1ALDH1A1HPGD
SCHEMBL5217857 0.84 ALDH1A1 (0.47) SLC18A3ALDH1A1MEN1KMT2AUSP2
SCHEMBL10555746 0.84 SLC18A3 (0.56) MAPTSLC18A3ABCB1ALDH1A1HPGD
SCHEMBL5144884 0.84 ABCB1 (0.44) MAPTSLC18A3ABCB1ALDH1A1HPGD
SCHEMBL14378540 0.81 SLC18A3 (0.41) MAPTSLC18A3ABCB1ALDH1A1HPGD
SCHEMBL10553065 0.81 SLC18A3 (0.44) MAPTSLC18A3ABCB1ALDH1A1HPGD
SCHEMBL5147213 0.80 SLC18A3 (0.39) SLC18A3ABCB1ALDH1A1MEN1KMT2A
SCHEMBL13587962 0.77 POLB (0.53) POLBUSP2ALOX15
SCHEMBL10553158 0.76 USP2 (0.54) HPGDPOLBUSP2ALOX15

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 MAPT 3737/4885ATM 3982/4885SLC18A3 1355/4885
US-20040171586-A1 Heterocycles and uses thereof CBR1, CBR3, RCOR1 MAPT 4546/4885ATM 4642/4885SLC18A3 3355/4885

“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.