SCHEMBL1320141

SCHEMBL1320141

CCCc1nc(Nc2cccc(O)c2)nc(Nc2cccc(O)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.50
MTOR P42345 1/20 0.50
SYK P43405 8/20 0.49
HDAC6 Q9UBN7 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.46
VSIR Q9H7M9 1/20 0.45
NLRP3 Q96P20 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
RAPGEF4 Q8WZA2 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
RAD52 P43351 1/20 0.43
GFER P55789 1/20 0.43
CYP19A1 P11511 1/20 0.42

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
SCHEMBL1318965 0.91 SYK (0.47) PIK3CAMTORSYKHDAC6CYP3A4
SCHEMBL1318576 0.88 SYK (0.51) PIK3CAMTORSYKHDAC6CYP3A4
SCHEMBL29381670 0.88 SYK (0.51) PIK3CAMTORSYKHDAC6CYP3A4
SCHEMBL1319963 0.85 HDAC6 (0.54) PIK3CAMTORSYKHDAC6CYP3A4
SCHEMBL7564159 0.83 SYK (0.64) SYKHDAC6CYP3A4TSHRKMT2A
SCHEMBL22356493 0.82 SYK (0.62) SYKHDAC6CYP3A4TSHRKMT2A
SCHEMBL1320703 0.81 SYK (0.48) SYKHDAC6CYP3A4TSHRKMT2A
SCHEMBL1318687 0.79 SYK (0.63) SYKHDAC6CYP3A4TSHRKMT2A
SCHEMBL12484741 0.79 VSIR (0.44) PIK3CAMTORSYKHDAC6CYP3A4
SCHEMBL29819598 0.79 CYP3A4 (0.74) SYKHDAC6CYP3A4TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 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-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-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-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 PIK3CA 4879/4885MTOR 3982/4885SYK 3519/4885
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 PIK3CA 4857/4885MTOR 4133/4885SYK 2947/4885
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 PIK3CA 4857/4885MTOR 4133/4885SYK 2947/4885
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 PIK3CA 4857/4885MTOR 4133/4885SYK 2947/4885
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 PIK3CA 4857/4885MTOR 4133/4885SYK 2947/4885
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 PIK3CA 4857/4885MTOR 4133/4885SYK 2947/4885

“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.