SCHEMBL15434759

SCHEMBL15434759

Nc1cccc2c(=O)c3ccccc3n(-c3ccccc3Br)c12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 3/20 0.39
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
MGLL Q99685 1/20 0.37
P2RX4 Q99571 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
GLA P06280 2/20 0.33
HCRTR1 O43613 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
HPGD P15428 1/20 0.33
APEX1 P27695 1/20 0.33
SYK P43405 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL15434758 0.78 TDP1 (0.40) PDE7AP2RX4ALDH1A1TDP1POLB
SCHEMBL30389896 0.77 DUSP3 (0.40) PDE7AALDH1A1HPGD
SCHEMBL25221531 0.77 DUSP3 (0.40) PDE7AALDH1A1HPGD
SCHEMBL25241214 0.75 KDM4E (0.41) P2RX4ALDH1A1GLAHPGD
SCHEMBL21148082 0.75 KDM4E (0.42) PDE7AALDH1A1TDP1POLBHPGD
SCHEMBL25277587 0.74 KDM4E (0.42) PDE7AGSK3AGSK3BMGLLALDH1A1
SCHEMBL28351422 0.74 KDM4E (0.48) P2RX4ALDH1A1POLBGLAHPGD
SCHEMBL23308373 0.73 HCRTR1 (0.49) ALDH1A1TDP1GLAHCRTR1HPGD
SCHEMBL782631 0.73 ALDH1A1 (0.50) PDE7AGSK3AGSK3BMGLLALDH1A1
SCHEMBL29521714 0.73 ALDH1A1 (0.50) PDE7AGSK3AGSK3BMGLLALDH1A1

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-2872589-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-07-26 EP disclosed
US-20150295186-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-10-15 US disclosed
US-20150295186-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-10-15 US disclosed
WO-2014008967-A2 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2014-01-16 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-20150295186-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EPCAM, OR10J3 PDE7A 4734/4885GSK3A 3955/4885GSK3B 4050/4885

“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.