SCHEMBL3427323

SCHEMBL3427323

CCN(CC)CCN(CC)CCC[O]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
CHRM1 P11229 2/20 0.37
ADRA1A P35348 2/20 0.37
OPRM1 P35372 2/20 0.37
DRD3 P35462 2/20 0.37
SLC6A3 Q01959 2/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
DRD1 P21728 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PAOX Q6QHF9 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC2A1 P11166 1/20 0.33
KDM5A P29375 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
SCHEMBL9241 0.94
SCHEMBL3428295 0.87 DNM1 (0.33) KCNH2SLC6A2SLC6A4CHRM1ADRA1A
SCHEMBL5242570 0.86 KCNH2 (0.35) KCNH2SLC6A2SLC6A4CHRM1ADRA1A
SCHEMBL9074 0.86 SIGMAR1 (0.40) KCNH2SLC6A2SLC6A4CHRM1ADRA1A
SCHEMBL6263119 0.83 PAOX (0.39) KCNH2SLC6A2SLC6A4NPSR1PAOX
SCHEMBL7015259 0.83 PAOX (0.39) KCNH2SLC6A2SLC6A4NPSR1PAOX
SCHEMBL3426886 0.82 KDM4E (0.37) CHRM2SIGMAR1ALDH1A1
SCHEMBL3429980 0.82 CYP1A2 (0.47) KCNH2SLC6A2SLC6A4CHRM1ADRA1A
SCHEMBL3431190 0.82 HSD17B10 (0.38) KCNH2SLC6A2SLC6A4CHRM1ADRA1A
SCHEMBL6045423 0.78 KCNH2 (0.44) KCNH2SLC6A2SLC6A4CHRM1ADRA1A

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 8 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-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 KCNH2 1966/4885SLC6A2 4379/4885SLC6A4 4562/4885
US-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 KCNH2 3376/4885SLC6A2 2629/4885SLC6A4 3221/4885

“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.