SCHEMBL4024813

SCHEMBL4024813

O=CN1CCN(CCCCO)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
PAOX Q6QHF9 1/20 0.36
HRH3 Q9Y5N1 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
KCNH2 Q12809 2/20 0.33
RAD52 P43351 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
DRD1 P21728 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL1306555 0.94 HSD17B10 (0.46) HSD17B10PAOXHRH3MEN1KMT2A
SCHEMBL2087117 0.85 HSD17B10 (0.48) HSD17B10HRH3MEN1KMT2AALDH1A1
SCHEMBL5574053 0.84 HSD17B10 (0.47) HSD17B10PAOXHRH3KCNH2HTR1A
SCHEMBL11483699 0.82
SCHEMBL4024810 0.81 HSD17B10 (0.41) HSD17B10PAOXHRH3MEN1KMT2A
SCHEMBL7767622 0.80 HTR1A (0.45) HSD17B10MEN1KMT2AALDH1A1KDM4E
SCHEMBL11486700 0.79 HRH3 (0.52) PAOXHRH3ALDH1A1KDM4EKCNH2
SCHEMBL11899867 0.79 HRH3 (0.52) PAOXHRH3ALDH1A1KDM4EKCNH2
SCHEMBL11482886 0.79 HRH3 (0.52) PAOXHRH3ALDH1A1KDM4EKCNH2
SCHEMBL11484221 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1528925-B1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-04-22 EP claimed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US claimed
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2005-11-10 US claimed
EP-1528925-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2005-05-11 EP claimed
WO-2004004732-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-01-15 WO claimed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US disclosed
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2005-11-10 US disclosed
EP-1528925-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2005-05-11 EP disclosed
WO-2004004732-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-01-15 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 (1 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-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer TPD52L2, NQO2, CCNI HSD17B10 4141/4885PAOX 1944/4885HRH3 680/4885

“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.