SCHEMBL5147209

SCHEMBL5147209

CC(=O)OC(C[O])CN1CCN(CC#N)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.39
ABCB1 P08183 2/20 0.34
PIK3CD O00329 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL5147213 0.88 SLC18A3 (0.39) SLC18A3ABCB1PIK3CDMEN1KMT2A
SCHEMBL5144567 0.80 SLC18A3 (0.43) SLC18A3ABCB1MEN1KMT2APOLB
SCHEMBL5144884 0.79 ABCB1 (0.44) SLC18A3ABCB1MEN1KMT2AALDH1A1
SCHEMBL5146384 0.76 ALDH1A1 (0.47) SLC18A3MEN1KMT2AALDH1A1
SCHEMBL5214868 0.72 KMT2A (0.39) MEN1KMT2AALDH1A1
SCHEMBL3975559 0.70 SLC18A3 (0.43) SLC18A3ABCB1PIK3CDPOLB
SCHEMBL5633729 0.68 PIK3CD (0.52) PIK3CDMEN1KMT2AALDH1A1
SCHEMBL5144569 0.67 MAPT (0.44) SLC18A3ABCB1MEN1KMT2APOLB
SCHEMBL1306324 0.67 PIK3CD (0.45) PIK3CDPOLBALDH1A1
SCHEMBL5214576 0.66 ABCB1 (0.44) SLC18A3ABCB1MEN1KMT2AALDH1A1

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-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
EP-1575591-A1 HETEROCYCLES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2005-09-21 EP 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 SLC18A3 1355/4885ABCB1 661/4885PIK3CD 4767/4885
US-20040171586-A1 Heterocycles and uses thereof CBR1, CBR3, RCOR1 SLC18A3 3355/4885ABCB1 2320/4885PIK3CD 2446/4885

“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.