SCHEMBL4686452

SCHEMBL4686452

COc1cc2c(=O)[nH]cnc2cc1OCCCN1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 14/20 0.61
EHMT1 Q9H9B1 14/20 0.61
SPIN1 Q9Y657 2/20 0.55
KDR P35968 1/20 0.55
TLR9 Q9NR96 2/20 0.52
TLR7 Q9NYK1 2/20 0.52

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
SCHEMBL2924579 0.99 EHMT2 (0.60) EHMT2EHMT1SPIN1KDRTLR9
SCHEMBL5498950 0.94 EHMT2 (0.54) EHMT2EHMT1SPIN1KDR
SCHEMBL4380551 0.93 EHMT2 (0.53) EHMT2EHMT1SPIN1KDR
SCHEMBL4025116 0.92 EHMT2 (0.52) EHMT2EHMT1KDRTLR9TLR7
SCHEMBL4379749 0.90 EHMT2 (0.50) EHMT2EHMT1SPIN1KDR
SCHEMBL1734721 0.90 KDM1A (0.57) KDR
SCHEMBL829762 0.90 KDM1A (0.57) KDR
SCHEMBL29478513 0.90 KDM1A (0.57) KDR
SCHEMBL29478512 0.90 KDM1A (0.57) KDR
Hydrochloric Acid SCHEMBL4378504 0.89 KDM1A (0.56) KDR

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381599-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-09-24 EP disclosed
US-7223756-B2 Quinazoline compounds with therapeutic use ASTRAZENECA AB (SE) 2007-05-29 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-7141577-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2006-11-28 US disclosed
US-7115615-B2 Quinazoline derivatives ASTRAZENECA (SE) 2006-10-03 US 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-20050009850-A1 Quinazoline compounds with therapeutic use ASTRAZENECA AB (SE) 2005-01-13 US disclosed
US-20040138240-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-07-15 US disclosed
US-20040048881-A1 Quinazoline derivatives with anti-tumour activity ASTRAZENECA AB (SE) 2004-03-11 US disclosed
US-20040044015-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-03-04 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 (5 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-20040044015-A1 Quinazoline derivatives NQO2, NRAS, TOP1 EHMT2 3178/4885EHMT1 2404/4885SPIN1 2171/4885
US-20040138240-A1 Quinazoline derivatives NQO2, WEE1, CMA1 EHMT2 1923/4885EHMT1 888/4885SPIN1 2858/4885
US-20040048881-A1 Quinazoline derivatives with anti-tumour activity TOP1, NQO2, ABCC1 EHMT2 3414/4885EHMT1 2291/4885SPIN1 2133/4885
US-20050009850-A1 Quinazoline compounds with therapeutic use CD4, HLA-DRB1, IL5 EHMT2 2260/4885EHMT1 1036/4885SPIN1 3787/4885
US-20050014773-A1 Therapeutic use CD4, HLA-DRB1, CD74 EHMT2 1834/4885EHMT1 945/4885SPIN1 4253/4885

“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.