SCHEMBL4386162

SCHEMBL4386162

[O]CCCC1CCCCN1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.50
FDPS P14324 2/20 0.43
KMT2A Q03164 3/20 0.42
CYP2D6 P10635 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
MLNR O43193 1/20 0.42
ABCB11 O95342 1/20 0.42
EGFR P00533 1/20 0.42
FYN P06241 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
HTR1A P08908 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL5468905 0.98 HRH3 (0.49) HRH3FDPSKMT2ACYP2D6MEN1
SCHEMBL5663632 0.94 HRH3 (0.45) HRH3FDPSKMT2ACYP2D6MEN1
SCHEMBL1098109 0.93
SCHEMBL5662239 0.87 HRH3 (0.39) HRH3FDPSKMT2ACYP2D6MEN1
SCHEMBL272549 0.86
SCHEMBL3637981 0.86
SCHEMBL2093275 0.85 HRH3 (0.38) HRH3FDPSKMT2ACYP2D6MEN1
SCHEMBL5468896 0.84 CYP2D6 (0.48) HRH3FDPSKMT2ACYP2D6MEN1
SCHEMBL15901411 0.81 CYP2D6 (0.46) HRH3FDPSKMT2ACYP2D6MEN1
SCHEMBL6781145 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US claimed
US-6846827-B1 Pyrimidine derivatives ASTRAZENECA AB (SE) 2005-01-25 US claimed
EP-1226126-B1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2005-01-05 EP claimed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP claimed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO claimed
EP-1226126-A1 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2002-07-31 EP claimed
WO-2001027089-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2001-04-19 WO claimed
US-8492560-B2 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2013-07-23 US disclosed
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors STOKES ELAINE S E (GB) 2012-08-02 US disclosed
EP-2050744-A1 Quinazoline derivatives as angiogenesis inhibitors AstraZeneca AB (SE) 2009-04-22 EP disclosed
US-20080312273-A1 Quinoline Derivatives Having Vegf Inhibiting Activity HENNEQUIN LAURENT FRANCOIS ANDRE 2008-12-18 US disclosed
US-7371765-B2 Quinoline derivatives having VEGF inhibiting activity ASTRAZENECA AB (SE) 2008-05-13 US disclosed
EP-1569638-B1 AMINOALKOXYINDOLES AS 5-HT6-RECEPTOR LIGANDS FOR THE TREATMENT OF CNS-DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-05 EP disclosed
WO-2002016348-A1 ANTIANGIOGENIC BICYCLIC DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO disclosed
WO-2002012227-A2 INDOLE, AZAINDOLE AND INDAZOLE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
WO-2002012228-A1 CINNOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
WO-2002012226-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
WO-2001027089-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2001-04-19 WO disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 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 (3 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 HRH3 673/4885FDPS 4089/4885KMT2A 1693/4885
US-20080312273-A1 Quinoline Derivatives Having Vegf Inhibiting Activity VEGFA, FLT1, FLT4 HRH3 27/4885FDPS 3669/4885KMT2A 2959/4885
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, FLT1, KDR HRH3 739/4885FDPS 2123/4885KMT2A 3862/4885

“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.