SCHEMBL822915

SCHEMBL822915

CC(C)Cn1cnc2c(N(C)C)nc3ccccc3c21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.69
PDE4D Q08499 3/20 0.69
LMNA P02545 1/20 0.69
POLB P06746 1/20 0.69
HRH2 P25021 1/20 0.69
ADRA1D P25100 1/20 0.69
HTR2A P28223 1/20 0.69
ADORA2A P29274 1/20 0.69
ADRA1A P35348 1/20 0.69
NUDT1 P36639 1/20 0.69
HTR2B P41595 1/20 0.69
KCNH2 Q12809 1/20 0.69
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TLR8 Q9NR97 1/20 0.37

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
SCHEMBL7832281 0.85 TLR7 (0.63) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL14958433 0.85 TLR7 (0.60) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL13435161 0.83 TLR7 (0.74) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL4830500 0.82 TLR7 (0.72) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL4562038 0.82 TLR7 (0.72) TLR7PDE4DLMNAPOLBHRH2
Imiquimod SCHEMBL570774 0.82 TLR7 (1.00) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL14667666 0.82 TLR7 (0.72) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL1774913 0.82 TLR7 (0.72) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL1774937 0.82 TLR7 (0.72) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL29378640 0.82 TLR7 (0.72) TLR7PDE4DLMNAPOLBHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9173935-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-9050319-B2 Phospholipid drug analogs TELORMEDIX, SA (CH) 2015-06-09 US disclosed
US-20130273144-A1 PHOSPHOLIPID DRUG ANALOGS BIOPHARMA CREDIT PLC (GB) 2013-10-17 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-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

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-20120003298-A1 METHODS FOR INDUCING AN IMMUNE RESPONSE CD4, IL4, CCR4 TLR7 20/4885PDE4D 2947/4885LMNA 3863/4885
US-20130267481-A1 PHOSPHOLIPID DRUG ANALOGS PHOSPHO1, PXMP4, SGMS1 TLR7 1935/4885PDE4D 184/4885LMNA 786/4885
US-20130273144-A1 PHOSPHOLIPID DRUG ANALOGS PHOSPHO1, PXMP4, SGMS1 TLR7 1935/4885PDE4D 184/4885LMNA 786/4885
US-20160090395-A1 PHOSPHOLIPID DRUG ANALOGS PHOSPHO1, PXMP4, SGMS1 TLR7 1935/4885PDE4D 184/4885LMNA 786/4885
US-20130266635-A1 PHOSPHOLIPID DRUG ANALOGS PHOSPHO1, PXMP4, SGMS1 TLR7 1935/4885PDE4D 184/4885LMNA 786/4885
US-20120009247-A1 PHOSPHOLIPID DRUG ANALOGS PHOSPHO1, PXMP4, SGMS1 TLR7 1935/4885PDE4D 184/4885LMNA 786/4885

“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.