SCHEMBL23511728

SCHEMBL23511728

CC(C)(C)c1n[nH]c(=O)c2cccnc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 12/20 0.48
▸ TSHR P16473 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GRM4 Q14833 2/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ AURKA O14965 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
SCHEMBL15633163 0.78 PARP1 (0.51) PARP1TSHRPOLBNPC1HSP90AA1
SCHEMBL10222520 0.78 ATM (0.52) PARP1TSHRPOLBPRMT5ATM
SCHEMBL17515573 0.76 GRM4 (0.50) GRM4
SCHEMBL25072358 0.75 PARP1 (0.51) PARP1TSHRPOLBNPC1HSP90AA1
SCHEMBL1252531 0.75 PARP1 (0.51) PARP1TSHRHSP90AA1L3MBTL1ATM
SCHEMBL30169667 0.74 PARP1 (0.62) PARP1TSHRPOLBPRMT5WDR77
SCHEMBL24835102 0.74 PARP1 (0.62) PARP1TSHRPOLBPRMT5WDR77
SCHEMBL18237397 0.74 PARP1 (0.48) PARP1TSHRPOLBNPC1HSP90AA1
SCHEMBL12689594 0.73 GRM4 (0.39) PARP1NPC1HSP90AA1L3MBTL1GRM4
SCHEMBL19153217 0.71 PARP1 (0.49) PARP1TSHRNPC1HSP90AA1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210179621-A1 Toll-Like Receptor 8 (TLR8) Specific Antagonists and Methods of Making and Uses Thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2021-06-17 — — 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-20210179621-A1 Toll-Like Receptor 8 (TLR8) Specific Antagonists and Methods of Making and Uses Thereof TLR8, TLR3, TLR9 PARP1 1146/4885TSHR 544/4885POLB 2448/4885

“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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