SCHEMBL3430693

SCHEMBL3430693

[O]CCCN1CCC(OP(=O)(O)O)CC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
INPP5A Q14642 2/20 0.37
BCHE P06276 2/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30

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
SCHEMBL3430694 0.86 INPP5A (0.37) INPP5A
SCHEMBL3429840 0.81 CHRNB2 (0.35) INPP5ABCHE
SCHEMBL14492092 0.78 TLR9 (0.34) INPP5A
SCHEMBL3429541 0.77 SIGMAR1 (0.33)
SCHEMBL10241703 0.77 SMN1; SMN2 (0.44) INPP5ABCHE
SCHEMBL3429181 0.74 HRH3 (0.34)
SCHEMBL2116384 0.74 HRH3 (0.37) BCHE
SCHEMBL27511817 0.74 ENPP1 (0.34) S1PR1S1PR3S1PR5
SCHEMBL685174 0.74 INPP5A (0.44) INPP5A
SCHEMBL31347812 0.72 KDM4E (0.54) BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20060270692-A1 Chemical compounds ASTRAZENECA AB (SE) 2006-11-30 US disclosed
US-20060178382-A1 Chinazoline derivatives as aurora kinase inhibitors ASTRAZENECA AB (SE) 2006-08-10 US disclosed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 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 (2 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 INPP5A 2341/4885BCHE 2855/4885S1PR1 4631/4885
US-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 INPP5A 1058/4885BCHE 3151/4885S1PR1 4208/4885

“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.