SCHEMBL1318786

SCHEMBL1318786

[O]CCCN(CCO)CCO

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EGFR P00533 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAD52 P43351 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL20239038 0.88 TSHR (0.33)
SCHEMBL3428937 0.88 CYP1A2 (0.33) MAPTSMN1; SMN2KDM4EALOX15ALDH1A1
SCHEMBL4287013 0.88 KDM4E (0.30) MAPTSMN1; SMN2KDM4EALOX15
SCHEMBL3429980 0.85 CYP1A2 (0.47) MAPTSMN1; SMN2KDM4EALOX15ALDH1A1
SCHEMBL3429383 0.82
SCHEMBL3429478 0.82
SCHEMBL3429419 0.82 LCK (0.48)
SCHEMBL146636 0.81 MAPT (0.39) MAPTSMN1; SMN2KDM4EALOX15MAPK1
SCHEMBL24579002 0.81 MAPT (0.39) MAPTSMN1; SMN2KDM4EALOX15MEN1
SCHEMBL332503 0.81 MAPT (0.39) MAPTSMN1; SMN2KDM4EALOX15MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269652-A1 GEMINI SURFACTANTS ST. FRANCIS XAVIER UNIVERSITY (CA) 2011-11-03 US disclosed
US-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 US disclosed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP disclosed
US-7253184-B2 4-Substituted quinolines as antitumor agents ASTRAZENECA AB (SE) 2007-08-07 US 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-20060270692-A1 Chemical compounds ASTRAZENECA AB (SE) 2006-11-30 US disclosed
US-7115615-B2 Quinazoline derivatives ASTRAZENECA (SE) 2006-10-03 US disclosed
US-20060178382-A1 Chinazoline derivatives as aurora kinase inhibitors ASTRAZENECA AB (SE) 2006-08-10 US disclosed
EP-1644361-A1 CHINAZOLINE DERIVATIVES AS AURORA KINASE INHIBITORS Astrazeneca AB (SE) 2006-04-12 EP disclosed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
US-20050014773-A1 Therapeutic use ASTRAZENACA AB (SE) 2005-01-20 US disclosed
WO-2004113324-A1 CHINAZOLINE DERIVATIVES AS AURORA KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-12-29 WO disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 WO disclosed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 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 (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-20060178382-A1 Chinazoline derivatives as aurora kinase inhibitors AURKA, AURKC, AURKB MAPT 1101/4885SMN1; SMN2 4605/4885KDM4E 1084/4885
US-20110269652-A1 GEMINI SURFACTANTS SGMS1, DEGS1, GMNN MAPT 3340/4885SMN1; SMN2 2824/4885KDM4E 3034/4885
US-20050014773-A1 Therapeutic use CD4, HLA-DRB1, CD74 MAPT 3737/4885SMN1; SMN2 2546/4885KDM4E 3623/4885
US-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 MAPT 2213/4885SMN1; SMN2 4323/4885KDM4E 3366/4885

“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.