SCHEMBL4492650

SCHEMBL4492650

CC(C)CN(C)CCCCO

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
GGPS1 O95749 3/20 0.37
ALDH1A1 P00352 2/20 0.32
CHRM2 P08172 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 2/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL3429118 0.93 PIK3CD (0.48) PIK3CDGGPS1ALDH1A1MAPTTSHR
SCHEMBL4503959 0.82
SCHEMBL22837688 0.82 PIK3CD (0.56) PIK3CDGGPS1CHRM2LMNACA12
SCHEMBL29323488 0.80 GGPS1 (0.38) GGPS1ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL10266660 0.80 PIK3CD (0.50) PIK3CDGGPS1ALDH1A1CHRM2LMNA
SCHEMBL465323 0.79 CHRM2 (0.48) GGPS1ALDH1A1CHRM2MAPTSMN1; SMN2
SCHEMBL23613297 0.78 PIK3CD (0.48) PIK3CDGGPS1ALDH1A1CHRM2LMNA
SCHEMBL21105836 0.78 PIK3CD (0.48) PIK3CDGGPS1ALDH1A1CHRM2LMNA
SCHEMBL21105967 0.78 PIK3CD (0.48) PIK3CDGGPS1ALDH1A1CHRM2LMNA
SCHEMBL22861932 0.78 PIK3CD (0.48) PIK3CDGGPS1ALDH1A1CHRM2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381599-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-09-24 EP claimed
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
EP-1409481-B1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-04 EP claimed
US-20050014773-A1 Therapeutic use ASTRAZENACA AB (SE) 2005-01-20 US claimed
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2005-01-13 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
US-20040034046-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-02-19 US claimed
EP-1381599-A1 QUINAZOLINE DERIVATIVES Astrazeneca AB (SE) 2004-01-21 EP claimed
WO-2003047584-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO claimed
WO-2003047585-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BENZOFURANYL SUBSTITUTED 3-CYANOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SOLID TUMOURS ASTRAZENECA AB (SE) 2003-06-12 WO claimed
WO-2003048159-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
EP-1313727-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-05-28 EP 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-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 (4 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 PIK3CD 4105/4885GGPS1 4471/4885ALDH1A1 1602/4885
US-20050014773-A1 Therapeutic use CD4, HLA-DRB1, CD74 PIK3CD 4767/4885GGPS1 3972/4885ALDH1A1 315/4885
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ABL1, FLT3, JAK2 PIK3CD 280/4885GGPS1 4807/4885ALDH1A1 3215/4885
US-20040034046-A1 Quinazoline derivatives NQO2, NRAS, TOP1 PIK3CD 2735/4885GGPS1 3818/4885ALDH1A1 1423/4885

“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.