SCHEMBL21645323

SCHEMBL21645323

N[C@@H]1C[C@H](C(F)(F)F)CN(c2ccc(C(F)(F)F)c3ncccc23)C1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.72
PIM2 Q9P1W9 16/20 0.45
NCF1 P14598 1/20 0.45
TLR7 Q9NYK1 1/20 0.43
PIM1 P11309 4/20 0.35
PIM3 Q86V86 4/20 0.35
PRKCQ Q04759 1/20 0.34
MAP4K1 Q92918 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
Hydrochloric Acid SCHEMBL21645218 0.99 TLR8 (0.70) TLR8PIM2NCF1TLR7PIM1
SCHEMBL21645214 0.90 TLR8 (0.73) TLR8PIM2NCF1PIM1PIM3
SCHEMBL19010458 0.90 TLR8 (0.73) TLR8PIM2NCF1PIM1PIM3
SCHEMBL19000115 0.90 TLR8 (0.73) TLR8PIM2NCF1PIM1PIM3
Hydrochloric Acid SCHEMBL18980461 0.89 TLR8 (0.72) TLR8PIM2NCF1PIM1PIM3
SCHEMBL18991680 0.87 TLR8 (0.55) TLR8PIM2NCF1TLR7PIM1
SCHEMBL18979931 0.87 TLR8 (0.55) TLR8PIM2NCF1TLR7PIM1
Hydrochloric Acid SCHEMBL18980877 0.86 TLR8 (0.54) TLR8PIM2NCF1TLR7PIM1
SCHEMBL21645233 0.86 TLR8 (0.55) TLR8PIM2PIM1PIM3PRKCQ
SCHEMBL23894241 0.86 TLR8 (0.68) TLR8PIM2PIM1PIM3PRKCQ

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
US-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 US disclosed
EP-3830080-A1 TLR7/8 ANTAGONISTS AND USES THEREOF Merck Patent GmbH (DE) 2021-06-09 EP disclosed
WO-2020025517-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-02-06 WO 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-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR8 2/4885PIM2 3336/4885NCF1 892/4885

“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.