SCHEMBL3434052

SCHEMBL3434052

O=P(O)(O)OCCN1CCN(CCCO)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LPAR3 Q9UBY5 8/20 0.37
LPAR2 Q9HBW0 6/20 0.37
LPAR1 Q92633 4/20 0.37
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
HTR1A P08908 1/20 0.32
S1PR1 P21453 2/20 0.32
S1PR5 Q9H228 2/20 0.32
S1PR3 Q99500 1/20 0.32

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
SCHEMBL3428966 0.89 ALDH1A1 (0.41) LMNAMEN1KMT2ALPAR3LPAR2
SCHEMBL14407788 0.89 ALDH1A1 (0.41) LMNAMEN1KMT2ALPAR3LPAR2
SCHEMBL3431912 0.85 MEN1 (0.35) LMNAPOLBMEN1KMT2AS1PR1
SCHEMBL3427283 0.85 CSNK2A2 (0.41) LMNAMEN1KMT2ALPAR3LPAR2
SCHEMBL3434049 0.85 LPAR3 (0.37) LPAR3LPAR2LPAR1CSNK2A2CSNK2B
SCHEMBL13400473 0.84 LPAR3 (0.53) LPAR3LPAR2LPAR1S1PR1S1PR5
SCHEMBL3431491 0.82 HTR7 (0.42) LMNAMEN1KMT2AHTR1A
SCHEMBL3431797 0.81 SLC6A2 (0.38) LMNAPOLBMEN1KMT2ALPAR3
SCHEMBL3428964 0.81 LPAR3 (0.35) LPAR3LPAR2LPAR1CSNK2A2CSNK2B
SCHEMBL16300835 0.81 LPAR3 (0.39) LPAR3LPAR2LPAR1

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
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
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-1644361-A1 CHINAZOLINE DERIVATIVES AS AURORA KINASE INHIBITORS Astrazeneca AB (SE) 2006-04-12 EP disclosed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
WO-2004113324-A1 CHINAZOLINE DERIVATIVES AS AURORA KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-12-29 WO 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 LMNA 512/4885POLB 925/4885MEN1 1679/4885
US-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 LMNA 704/4885POLB 149/4885MEN1 241/4885

“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.