SCHEMBL1319963

SCHEMBL1319963

CCCc1nc(Nc2cccc(O)c2)cc(Nc2cccc(O)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.54
ABCG2 Q9UNQ0 2/20 0.50
PIK3CA P42336 1/20 0.50
MTOR P42345 1/20 0.50
SYK P43405 3/20 0.49
CYP3A4 P08684 2/20 0.46
TSHR P16473 1/20 0.46
ABCB1 P08183 1/20 0.45
ABCC1 P33527 1/20 0.45
NLRP3 Q96P20 1/20 0.45
RAPGEF4 Q8WZA2 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
RAD52 P43351 1/20 0.43
GFER P55789 1/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL1318712 0.91 HDAC6 (0.51) HDAC6ABCG2PIK3CAMTORSYK
SCHEMBL1319075 0.88 HDAC6 (0.57) HDAC6ABCG2PIK3CAMTORSYK
SCHEMBL1320141 0.85 PIK3CA (0.50) HDAC6PIK3CAMTORSYKCYP3A4
SCHEMBL1318150 0.79 HDAC6 (0.62) HDAC6ABCG2PIK3CAMTORSYK
SCHEMBL23140109 0.78 ABCG2 (0.44) HDAC6ABCG2SYKCYP3A4TSHR
SCHEMBL657020 0.77 SYK (0.72) HDAC6ABCG2SYKCYP3A4TSHR
SCHEMBL1318965 0.77 SYK (0.47) HDAC6PIK3CAMTORSYKCYP3A4
SCHEMBL1318790 0.76 HDAC6 (0.62) HDAC6ABCG2PIK3CAMTORSYK
SCHEMBL1318770 0.75 HDAC6 (0.57) HDAC6ABCG2SYKCYP3A4TSHR
SCHEMBL1320113 0.75 HDAC6 (0.57) HDAC6ABCG2SYKCYP3A4TSHR

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286809-A1 Preventives or remedies for alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound BTG INTERNATIONAL LTD. (GB) 2009-11-19 US claimed
EP-1473289-B1 PREVENTIVES OR REMEDIES FOR ALZHEIMER'S DISEASE OR AMYLOID PROTEIN FIBROSIS INHIBITORS CONTAINING NITROGEN-CONTAINING HETEROARYL COMPOUNDS BTG INT LTD (GB) 2009-08-05 EP claimed
US-20080182846-A1 Preventives or remedies for Alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound BTG INTERNATIONAL LIMITED (GB) 2008-07-31 US claimed
US-20050054732-A1 Preventives or remidies for alzheimer's disease or amyloid protein fibrosis inhibitors containing nitrogen-containing heteroaryl compounds BTG INTERNATIONAL LTD. (GB) 2005-03-10 US claimed
EP-1473289-A1 PREVENTIVES OR REMEDIES FOR ALZHEIMER'S DISEASE OR AMYLOID PROTEIN FIBROSIS INHIBITORS CONTAINING NITROGEN-CONTAINING HETEROARYL COMPOUNDS Sankyo Company, Limited (JP) 2004-11-03 EP claimed
US-20110275640-A1 Preventives or remedies for alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound BTG INTERNATIONAL LTD. (GB) 2011-11-10 US disclosed
US-20110275641-A1 Preventives or remedies for Alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound BTG INTERNATIONAL LTD. (GB) 2011-11-10 US disclosed
US-8003645-B2 type II diabetes; 6-Ethyl-N,N'-bis(3-hydroxyphenyl)-1,3,5-triazine-2,4-diamine; suppress the fall in MTT reduction capacity by beta -amyloid protein; inhibit impairment of long-term potentiation of hippocampal nerve cells, pyrimidine or 1,3,5 triazine derivatives BTG INTERNATIONAL LTD. (GB) 2011-08-23 US disclosed
US-20090286794-A1 Preventives or remedies for alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound BTG INTERNATIONAL LTD. (GB) 2009-11-19 US disclosed
US-20090286809-A1 Preventives or remedies for alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound BTG INTERNATIONAL LTD. (GB) 2009-11-19 US disclosed
US-7589105-B2 For example, N,N'-bis(3-hydroxyphenyl)pyrimidine-4,6-diamine, 2-methyl-N,N'-bis(3-hydroxyphenyl)pyrimidine-4,6-diamine BTG INTERNATIONAL LIMITED (GB) 2009-09-15 US disclosed
EP-1473289-B1 PREVENTIVES OR REMEDIES FOR ALZHEIMER'S DISEASE OR AMYLOID PROTEIN FIBROSIS INHIBITORS CONTAINING NITROGEN-CONTAINING HETEROARYL COMPOUNDS BTG INT LTD (GB) 2009-08-05 EP disclosed
US-20080182846-A1 Preventives or remedies for Alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound BTG INTERNATIONAL LIMITED (GB) 2008-07-31 US disclosed
US-20050054732-A1 Preventives or remidies for alzheimer's disease or amyloid protein fibrosis inhibitors containing nitrogen-containing heteroaryl compounds BTG INTERNATIONAL LTD. (GB) 2005-03-10 US disclosed
EP-1473289-A1 PREVENTIVES OR REMEDIES FOR ALZHEIMER'S DISEASE OR AMYLOID PROTEIN FIBROSIS INHIBITORS CONTAINING NITROGEN-CONTAINING HETEROARYL COMPOUNDS Sankyo Company, Limited (JP) 2004-11-03 EP 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 (6 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-20050054732-A1 Preventives or remidies for alzheimer's disease or amyloid protein fibrosis inhibitors containing nitrogen-containing heteroaryl compounds NAT1, APP, BACE1 HDAC6 666/4885ABCG2 1508/4885PIK3CA 4879/4885
US-20110275641-A1 Preventives or remedies for Alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound APP, BACE1, PSEN1 HDAC6 664/4885ABCG2 1560/4885PIK3CA 4857/4885
US-20090286794-A1 Preventives or remedies for alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound APP, BACE1, PSEN1 HDAC6 664/4885ABCG2 1560/4885PIK3CA 4857/4885
US-20090286809-A1 Preventives or remedies for alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound APP, BACE1, PSEN1 HDAC6 664/4885ABCG2 1560/4885PIK3CA 4857/4885
US-20080182846-A1 Preventives or remedies for Alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound APP, BACE1, PSEN1 HDAC6 664/4885ABCG2 1560/4885PIK3CA 4857/4885
US-20110275640-A1 Preventives or remedies for alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound APP, BACE1, PSEN1 HDAC6 664/4885ABCG2 1560/4885PIK3CA 4857/4885

“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.