SCHEMBL2467236

SCHEMBL2467236

CC(C)(C)OC(=O)NCCCCOc1ccccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.46
CA1 P00915 6/20 0.46
CA2 P00918 6/20 0.46
CA9 Q16790 6/20 0.46
DRD2 P14416 4/20 0.44
AAK1 Q2M2I8 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
SCN9A Q15858 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
IDO1 P14902 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL30417685 0.97 CA12 (0.45) CA12CA1CA2CA9DRD2
SCHEMBL24191752 0.97 CA12 (0.45) CA12CA1CA2CA9DRD2
SCHEMBL24192454 0.93 SCN9A (0.46) CA12CA1CA2CA9DRD2
SCHEMBL19911764 0.86 CA12 (0.42) CA12CA1CA2CA9DRD2
SCHEMBL29615172 0.86 CA12 (0.42) CA12CA1CA2CA9DRD2
SCHEMBL31626958 0.83 NPSR1 (0.46) CA12CA1CA2CA9DRD2
SCHEMBL461594 0.82 CA12 (0.41) CA12CA1CA2CA9DRD2
SCHEMBL25383707 0.82 MTNR1A (0.46)
SCHEMBL24192572 0.81 SCN9A (0.43) CA12CA1CA2CA9AAK1
SCHEMBL22163551 0.81 CA12 (0.40) CA12CA1CA2CA9DRD2

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
EP-2550257-B1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2016-12-21 EP disclosed
US-20130079345-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-28 US disclosed
EP-2550257-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES Lead Discovery Center GmbH (DE) 2013-01-30 EP disclosed
WO-2011116951-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2011-09-29 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-20130079345-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES PDE5A, TESK2, PAK5 CA12 4620/4885CA1 4406/4885CA2 2602/4885

“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.