SCHEMBL21769263

SCHEMBL21769263

CCCCC(Nc1nc(N)ncc1OCCCc1ccccc1)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.45
TLR8 Q9NR97 5/20 0.45
CTSK P43235 2/20 0.43
PPARG P37231 6/20 0.43
PTGES O14684 5/20 0.43
ALOX5 P09917 5/20 0.43
PSEN1 P49768 1/20 0.39

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
SCHEMBL15469737 1.00 TLR7 (0.45) TLR7TLR8CTSKPPARGPTGES
SCHEMBL15470449 1.00 TLR7 (0.45) TLR7TLR8CTSKPPARGPTGES
SCHEMBL20219289 0.83 TLR8 (0.56) TLR7TLR8
SCHEMBL15470074 0.83 TLR8 (0.56) TLR7TLR8
SCHEMBL20413276 0.83 TLR8 (0.48) TLR7TLR8
SCHEMBL22915531 0.83 CTSK (0.45) CTSKPPARGPTGESALOX5PSEN1
SCHEMBL15469988 0.82 KCNH2 (0.57) TLR7TLR8
SCHEMBL20219557 0.82 KCNH2 (0.57) TLR7TLR8
SCHEMBL15469989 0.81 TLR8 (0.48) TLR7TLR8
SCHEMBL15469987 0.81 TLR7 (0.50) TLR7TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590928-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-06-09 EP disclosed
US-10780089-B2 Pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2020-09-22 US disclosed
US-20200061059-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2020-02-27 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 (2 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-10780089-B2 Pyrimidine derivatives for the treatment of viral infections TYMP, UMPS, HPRT1 TLR7 1000/4885TLR8 1540/4885CTSK 3614/4885
US-20200061059-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 TLR7 1000/4885TLR8 1540/4885CTSK 3614/4885

“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.