SCHEMBL4500975

SCHEMBL4500975

CC(C)N(C)CCCC[O]

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL4504144 0.92
SCHEMBL8579206 0.83 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL188591 0.80
SCHEMBL5715676 0.80 MEN1 (0.32) ALDH1A1TSHR
SCHEMBL18430178 0.79 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL12734203 0.78 ALDH1A1 (0.56) ALDH1A1TSHR
SCHEMBL18387903 0.77 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL4498941 0.76 MEN1 (0.43)
SCHEMBL10953399 0.76 DNM1 (0.50) TSHR
SCHEMBL7589367 0.74 DNM1 (0.55) ALDH1A1TSHR

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223756-B2 Quinazoline compounds with therapeutic use ASTRAZENECA AB (SE) 2007-05-29 US claimed
EP-1453492-B1 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-01-24 EP claimed
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 claimed
US-7141577-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2006-11-28 US claimed
US-7115615-B2 Quinazoline derivatives ASTRAZENECA (SE) 2006-10-03 US claimed
US-6939866-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2005-09-06 US claimed
US-20050014773-A1 Therapeutic use ASTRAZENACA AB (SE) 2005-01-20 US claimed
US-20050009850-A1 Quinazoline compounds with therapeutic use ASTRAZENECA AB (SE) 2005-01-13 US claimed
EP-1453492-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES Astrazeneca AB (SE) 2004-09-08 EP claimed
EP-1451180-A1 QUINAZOLINE COMPOUNDS WITH THERAPEUTIC USE Astrazeneca AB (SE) 2004-09-01 EP claimed
WO-2003047584-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO claimed
WO-2003045364-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 WO claimed
WO-2003045943-A1 QUINAZOLINE COMPOUNDS WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2003-06-05 WO claimed
EP-1313727-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-05-28 EP claimed
WO-2002030924-A9 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2003-05-22 WO claimed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 WO claimed
WO-2002085895-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-10-31 WO claimed
WO-2002030924-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2002-04-18 WO claimed
WO-2002030926-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-04-18 WO claimed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO claimed

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-20050009850-A1 Quinazoline compounds with therapeutic use CD4, HLA-DRB1, IL5 ALDH1A1 1602/4885TSHR 1600/4885
US-20050014773-A1 Therapeutic use CD4, HLA-DRB1, CD74 ALDH1A1 315/4885TSHR 454/4885

“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.