SCHEMBL21769191

SCHEMBL21769191

CCCC[C@H](COOC[C@@H](Nc1nc(N)ncc1OC)[C@@H](C)CC)Nc1nc(N)ncc1OC

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 10/20 0.40
▸ TLR8 Q9NR97 7/20 0.40
▸ KCNH2 Q12809 5/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.34

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
SCHEMBL20418750 0.88 TLR8 (0.45) TLR7TLR8KCNH2
SCHEMBL19274277 0.83 TLR7 (0.48) TLR7TLR8KCNH2
SCHEMBL23472645 0.82 TRPM8 (0.40) TLR7TLR8TRPM8
SCHEMBL23472404 0.81 TLR7 (0.51) TLR7TLR8KCNH2
SCHEMBL20219473 0.79 TLR7 (0.54) TLR7TLR8KCNH2
SCHEMBL13195729 0.79 TLR7 (0.54) TLR7TLR8KCNH2
SCHEMBL13195694 0.79 TLR7 (0.54) TLR7TLR8KCNH2
SCHEMBL23637452 0.79 TLR7 (0.42) TLR7TLR8KCNH2
SCHEMBL14377304 0.78 TLR7 (0.44) TLR7TLR8KCNH2
SCHEMBL20219539 0.78 TLR7 (0.46) TLR7TLR8KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1540/4885KCNH2 4679/4885
US-20200061059-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 TLR7 1000/4885TLR8 1540/4885KCNH2 4679/4885

“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.

Send feedback