SCHEMBL21769211

SCHEMBL21769211

C=C/C=C\C=C(/C)COc1cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc1NCCCC

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 1/20 0.32
▸ STK17A Q9UEE5 1/20 0.32
▸ MERTK Q12866 1/20 0.32
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31

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
SCHEMBL23472264 0.82 TLR8 (0.33) STK17BSTK17AMERTKTLR8
SCHEMBL15469754 0.78 HTR2A (0.37) STK17BSTK17AMERTKTLR8
SCHEMBL13195087 0.77 STK17B (0.41) STK17BSTK17AMERTKCHRNB2CHRNB4
SCHEMBL13195019 0.77 TLR7 (0.46) TLR8
SCHEMBL20219294 0.75 TLR8 (0.31) STK17BSTK17ATLR8
SCHEMBL15469710 0.73 TLR8 (0.39) STK17BSTK17AMERTKTLR8
SCHEMBL20219250 0.73 STK17B (0.40) STK17BSTK17AMERTKTLR8
SCHEMBL20219544 0.72 PGK1 (0.33) STK17BSTK17A
SCHEMBL13195671 0.72 TLR7 (0.39) —
SCHEMBL15469708 0.71 TLR8 (0.44) TLR8

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 STK17B 1962/4885STK17A 2004/4885MERTK 861/4885
US-20200061059-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 STK17B 1962/4885STK17A 2004/4885MERTK 861/4885

“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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