SCHEMBL972628

SCHEMBL972628

Nc1nc(S)c2ncn(-n3cnc4c(Cl)nc(N)nc43)c2n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 15/20 0.42
HSP90AA1 P07900 14/20 0.42
HDAC6 Q9UBN7 5/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC4 P56524 1/20 0.40
HSP90B1 P14625 1/20 0.38
TRAP1 Q12931 1/20 0.38

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
SCHEMBL15789757 0.83 CDK1 (0.50) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL9153899 0.77 CDK1 (0.44) HSP90AB1HSP90AA1HSP90B1
SCHEMBL852593 0.75 HSP90AB1 (0.41) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL17040218 0.74 HSP90AB1 (0.47) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL24474430 0.73 HSP90AB1 (0.46) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL9663203 0.73 HDAC6 (0.47) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL17226007 0.73 CDK1 (0.55)
SCHEMBL764036 0.73 CDK1 (0.59) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL27983442 0.71 CDK1 (0.59) HSP90AB1HSP90AA1HSP90B1
SCHEMBL9226296 0.71 HSP90AB1 (0.38) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-10-17 US disclosed
EP-3539546-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-09-18 EP disclosed
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. 2018-03-29 US disclosed
US-20170210770-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2017-07-27 US disclosed
US-9579332-B2 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2017-02-28 US disclosed
US-20130090299-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-04-11 US disclosed
US-8318701-B2 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-11-27 US disclosed
US-7871991-B2 phosphorus substituted viricides such as ethyl (2S)-2-[[[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate, used for treating or reducing a risk of human immunodeficiency virus (HIV) infection in a patient that may be exposed to HIV GILEAD SCIENCES, INC. (US) 2011-01-18 US disclosed
EP-2258376-A1 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-12-08 EP disclosed
US-20090202470-A1 Phosphonate Analogs of Hiv Inhibitor Compounds GILEAD SCIENCES, INC. (US) 2009-08-13 US disclosed
EP-1778251-A2 NUCLEOSIDE PHOSPHONATE CONJUGATES AS ANTI HIV AGENTS GILEAD SCIENCES, INC. (US) 2007-05-02 EP disclosed
WO-2006110157-A9 NUCLEOSIDE PHOSPHONATE CONJUGATES AS ANTI HIV AGENTS GILEAD SCIENCES INC (US) 2007-03-08 WO disclosed
US-20070049754-A1 phosphorus substituted viricides such as ethyl (2S)-2-[[[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate, used for treating or reducing a risk of human immunodeficiency virus (HIV) infection in a patient that may be exposed to HIV GILEAD SCIENCES, INC. 2007-03-01 US disclosed
WO-2006110157-A2 NUCLEOSIDE PHOSPHONATE CONJUGATES AS ANTI HIV AGENTS GILEAD SCIENCES, INC. (US) 2006-10-19 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 (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-20090202470-A1 Phosphonate Analogs of Hiv Inhibitor Compounds PIK3CA, TYMP, ITPA HSP90AB1 3339/4885HSP90AA1 4003/4885HDAC6 2679/4885
US-20070049754-A1 phosphorus substituted viricides such as ethyl (2S)-2-[[[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate, used for treating or reducing a risk of human immunodeficiency virus (HIV) infection in a patient that may be exposed to HIV INPP5D, INPPL1, MTAP HSP90AB1 4556/4885HSP90AA1 4582/4885HDAC6 4781/4885
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA HSP90AB1 3339/4885HSP90AA1 4003/4885HDAC6 2679/4885
US-20130090299-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA HSP90AB1 3339/4885HSP90AA1 4003/4885HDAC6 2679/4885
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds PIK3CA, TYMP, ITPA HSP90AB1 3339/4885HSP90AA1 4003/4885HDAC6 2679/4885
US-20170210770-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA HSP90AB1 3339/4885HSP90AA1 4003/4885HDAC6 2679/4885

“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.