SCHEMBL17830002

SCHEMBL17830002

CCCC[C@@H](CO)Nc1nc(C)nc2cc(C(C)(C)C)sc12

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 5/20 0.42
▸ TLR7 Q9NYK1 4/20 0.42
▸ KCNH2 Q12809 6/20 0.37
▸ CRHR1 P34998 4/20 0.36
▸ PRKCI P41743 3/20 0.36

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
SCHEMBL16441144 0.88 TLR8 (0.56) TLR8TLR7KCNH2
SCHEMBL22448326 0.77 PRKCI (0.49) TLR8TLR7KCNH2CRHR1PRKCI
SCHEMBL17829997 0.77 TLR8 (0.47) TLR8TLR7KCNH2
SCHEMBL18415705 0.77 TLR8 (0.47) TLR8TLR7KCNH2
SCHEMBL16441143 0.75 TLR8 (0.60) TLR8TLR7KCNH2
SCHEMBL17830003 0.75 TLR8 (0.60) TLR8TLR7KCNH2
SCHEMBL16441145 0.75 TLR8 (0.60) TLR8TLR7KCNH2
SCHEMBL22448325 0.73 TLR8 (0.42) TLR8TLR7KCNH2PRKCI
SCHEMBL17829998 0.72 TLR8 (0.42) TLR8TLR7KCNH2CRHR1
SCHEMBL17830001 0.69 TLR8 (0.44) TLR8TLR7KCNH2CRHR1

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-9556199-B2 Thieno[3,2-d]pyrimidines derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2017-01-31 — — US disclosed
US-20160168164-A1 THIENO[3,2-d]PYRIMIDINES DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2016-06-16 — — 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 (1 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-20160168164-A1 THIENO[3,2-d]PYRIMIDINES DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMS, TYMP, UMPS TLR8 1457/4885TLR7 766/4885KCNH2 2811/4885

“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.

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