SCHEMBL4500330

SCHEMBL4500330

CN1CCN(C(O)CCOCCCN2CCNCC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CXCR4 P61073 2/20 0.35
HRH2 P25021 2/20 0.34
HRH1 P35367 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.33
POLB P06746 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
SCHEMBL3850951 0.78 CXCR4 (0.40) SMN1; SMN2MEN1KMT2ACXCR4HRH2
SCHEMBL7607654 0.73 HRH2 (0.38) PHGDHSMN1; SMN2MEN1KMT2ACXCR4
SCHEMBL24474189 0.73 MEN1 (0.34) SMN1; SMN2MEN1KMT2A
SCHEMBL21348420 0.72 CXCR4 (0.46) MEN1KMT2ACXCR4HRH2HRH1
SCHEMBL18024018 0.72 CXCR4 (0.46) SMN1; SMN2MEN1KMT2ACXCR4HRH2
SCHEMBL18024039 0.72 CXCR4 (0.46) SMN1; SMN2MEN1KMT2ACXCR4HRH2
SCHEMBL28045281 0.71 HSD17B10 (0.44) SMN1; SMN2MEN1KMT2ACXCR4ALDH1A1
SCHEMBL20443304 0.71 MEN1 (0.42) SMN1; SMN2MEN1KMT2ACXCR4ALDH1A1
SCHEMBL7043670 0.71 HRH2 (0.50) SMN1; SMN2MEN1KMT2ACXCR4HRH2
SCHEMBL21348463 0.71 CXCR4 (0.44) SMN1; SMN2MEN1KMT2ACXCR4HRH2

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 PHGDH 2543/4885SMN1; SMN2 2688/4885MEN1 394/4885

“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.