SCHEMBL3429181

SCHEMBL3429181

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.34
ACHE P22303 3/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
GNAO1 P09471 1/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
HTR4 Q13639 2/20 0.33
SLC6A2 P23975 1/20 0.33
CHRM4 P08173 1/20 0.32
LPAR3 Q9UBY5 3/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR2 Q9HBW0 2/20 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
SCHEMBL3429431 0.91 SLC6A4 (0.34) HRH3ACHECSNK2A2CSNK2BCSNK2A1
SCHEMBL3429184 0.88 HRH3 (0.39) HRH3ACHECSNK2A2CSNK2BCSNK2A1
SCHEMBL3429433 0.84 ACHE (0.35) HRH3ACHECSNK2A2CSNK2BCSNK2A1
SCHEMBL3429541 0.84 SIGMAR1 (0.33) ACHEHTR4CHRM4
SCHEMBL2115787 0.81 HRH3 (0.40) HRH3ACHEGNAO1SLC6A4SLC6A3
SCHEMBL3434049 0.80 LPAR3 (0.37) CSNK2A2CSNK2BCSNK2A1CSNK2A3LPAR3
SCHEMBL3428614 0.79 GRIN2D (0.31)
SCHEMBL27511817 0.76 ENPP1 (0.34) CHRM4
SCHEMBL3424280 0.75 ACHE (0.45) HRH3ACHEGNAO1SLC6A4SLC6A3
SCHEMBL3430974 0.74 FBP1 (0.34)

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-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

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 HRH3 2418/4885ACHE 4044/4885CSNK2A2 51/4885
US-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 HRH3 1333/4885ACHE 2078/4885CSNK2A2 578/4885

“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.