SCHEMBL822996

SCHEMBL822996

CCNC(=O)c1ccc(Cn2c(=O)[nH]c3c(N)nc(OCCOC)nc32)cc1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.72
NUDT1 P36639 1/20 0.72
IL6 P05231 1/20 0.61
CYP2E1 P05181 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP3A5 P20815 1/20 0.60

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
SCHEMBL20553091 0.92 TLR7 (0.71) TLR7NUDT1CYP2E1CYP3A4CYP2D6
SCHEMBL19369897 0.91 TLR7 (0.75) TLR7NUDT1IL6
SCHEMBL18429397 0.89 TLR7 (0.75) TLR7NUDT1IL6
SCHEMBL43878 0.89 TLR7 (0.82) TLR7NUDT1IL6
SCHEMBL12175813 0.89 TLR7 (0.78) TLR7NUDT1IL6
SCHEMBL29997135 0.89 TLR7 (0.82) TLR7NUDT1IL6
SCHEMBL19370027 0.88 TLR7 (0.66) TLR7NUDT1IL6CYP2E1CYP3A4
SCHEMBL31360530 0.87 TLR7 (0.65) TLR7NUDT1IL6
SCHEMBL14645061 0.87 CYP2E1 (0.71) TLR7NUDT1IL6CYP2E1CYP3A4
SCHEMBL18429924 0.86 TLR7 (0.74) TLR7NUDT1IL6

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903987-B1 PHOSPHOLIPID DRUG ANALOGS UROGEN PHARMA LTD (IL) 2017-09-20 EP disclosed
US-9540407-B2 Phospholipid drug analogs UROGEN PHARMA LTD (IL) 2017-01-10 US disclosed
US-20160090395-A1 PHOSPHOLIPID DRUG ANALOGS BIOPHARMA CREDIT PLC, AS COLLATERAL AGENT (GB) 2016-03-31 US disclosed
US-9180183-B2 Phospholipid drug analogs TELORMEDIX SA (CH) 2015-11-10 US disclosed
US-9180183-B2 Phospholipid drug analogs TELORMEDIX SA (CH) 2015-11-10 US disclosed
US-9173936-B2 Phospholipid drug analogs TELORMEDIX SA (CH) 2015-11-03 US disclosed
US-9173936-B2 Phospholipid drug analogs TELORMEDIX SA (CH) 2015-11-03 US disclosed
US-9173935-B2 Phospholipid drug analogs TELORMEDIX SA (CH) 2015-11-03 US disclosed
US-9173935-B2 Phospholipid drug analogs TELORMEDIX SA (CH) 2015-11-03 US disclosed
US-9050319-B2 Phospholipid drug analogs TELORMEDIX, SA (CH) 2015-06-09 US disclosed
US-20130267481-A1 PHOSPHOLIPID DRUG ANALOGS BIOPHARMA CREDIT PLC, AS COLLATERAL AGENT (GB) 2013-10-10 US disclosed
US-20130267481-A1 PHOSPHOLIPID DRUG ANALOGS BIOPHARMA CREDIT PLC, AS COLLATERAL AGENT (GB) 2013-10-10 US disclosed
US-20130266635-A1 PHOSPHOLIPID DRUG ANALOGS BIOPHARMA CREDIT PLC, AS COLLATERAL AGENT (GB) 2013-10-10 US disclosed
US-20130266635-A1 PHOSPHOLIPID DRUG ANALOGS BIOPHARMA CREDIT PLC, AS COLLATERAL AGENT (GB) 2013-10-10 US disclosed
US-20120009247-A1 PHOSPHOLIPID DRUG ANALOGS BIOPHARMA CREDIT PLC (GB) 2012-01-12 US disclosed
US-20120009247-A1 PHOSPHOLIPID DRUG ANALOGS BIOPHARMA CREDIT PLC (GB) 2012-01-12 US disclosed
US-20120003298-A1 METHODS FOR INDUCING AN IMMUNE RESPONSE TELORMEDIX SA (CH) 2012-01-05 US disclosed
US-20120003298-A1 METHODS FOR INDUCING AN IMMUNE RESPONSE TELORMEDIX SA (CH) 2012-01-05 US disclosed
WO-2011134669-A1 METHODS FOR INDUCING AN IMMUNE RESPONSE TELORMEDIX SA (CH) 2011-11-03 WO disclosed
WO-2011134668-A1 PHOSPHOLIPID DRUG ANALOGS TELORMEDIX SA (CH) 2011-11-03 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 (5 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-20120003298-A1 METHODS FOR INDUCING AN IMMUNE RESPONSE CD4, IL4, CCR4 TLR7 20/4885NUDT1 3462/4885IL6 1267/4885
US-20130267481-A1 PHOSPHOLIPID DRUG ANALOGS PHOSPHO1, PXMP4, SGMS1 TLR7 1935/4885NUDT1 1425/4885IL6 4718/4885
US-20160090395-A1 PHOSPHOLIPID DRUG ANALOGS PHOSPHO1, PXMP4, SGMS1 TLR7 1935/4885NUDT1 1425/4885IL6 4718/4885
US-20130266635-A1 PHOSPHOLIPID DRUG ANALOGS PHOSPHO1, PXMP4, SGMS1 TLR7 1935/4885NUDT1 1425/4885IL6 4718/4885
US-20120009247-A1 PHOSPHOLIPID DRUG ANALOGS PHOSPHO1, PXMP4, SGMS1 TLR7 1935/4885NUDT1 1425/4885IL6 4718/4885

“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.