SCHEMBL4500328

SCHEMBL4500328

CN1CCN(CCC([O])OCCCN2CCNCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.41
HRH1 P35367 2/20 0.41
SIGMAR1 Q99720 3/20 0.38
CXCR4 P61073 2/20 0.37
HRH3 Q9Y5N1 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD3 P35462 2/20 0.34
PAOX Q6QHF9 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7607650 0.88 HRH2 (0.41) HRH2HRH1SIGMAR1CXCR4HRH3
SCHEMBL3850949 0.82 SIGMAR1 (0.49) SIGMAR1CXCR4MEN1KMT2AALDH1A1
SCHEMBL8187485 0.75 CXCR4 (0.59) SIGMAR1CXCR4SMN1; SMN2PAOX
SCHEMBL6645511 0.75 CXCR4 (0.57) SIGMAR1CXCR4ALDH1A1SMN1; SMN2PAOX
SCHEMBL2621583 0.74 SMN1; SMN2 (0.49) HRH2HRH1SIGMAR1CXCR4HRH3
SCHEMBL5265735 0.73 HRH3 (0.46) HRH3MEN1KMT2AMAPT
SCHEMBL7607654 0.72 HRH2 (0.38) HRH2HRH1SIGMAR1CXCR4HRH3
SCHEMBL7161461 0.72 HRH3 (0.42) HRH2HRH1SIGMAR1CXCR4HRH3
SCHEMBL21120474 0.72 HRH2 (0.47) HRH2HRH1SIGMAR1CXCR4HRH3
SCHEMBL21348722 0.72 HRH2 (0.47) HRH2HRH1SIGMAR1CXCR4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HRH2 905/4885HRH1 1260/4885SIGMAR1 360/4885

“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.