SCHEMBL21645233

SCHEMBL21645233

N[C@@H]1C[C@H](C(F)(F)F)CN(c2ccc(C(F)(F)F)c3nccnc23)C1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.55
PIM2 Q9P1W9 15/20 0.42
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
NOTUM Q6P988 1/20 0.36
PRKCQ Q04759 1/20 0.36
MAP4K1 Q92918 1/20 0.36
RET P07949 2/20 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
Hydrochloric Acid SCHEMBL21645106 0.99 TLR8 (0.54) TLR8PIM2PIM1PIM3NOTUM
Hydrochloric Acid SCHEMBL21645109 0.99 TLR8 (0.54) TLR8PIM2PIM1PIM3NOTUM
Hydrochloric Acid SCHEMBL21645107 0.99 TLR8 (0.54) TLR8PIM2PIM1PIM3NOTUM
SCHEMBL30571035 0.86 PIM2 (0.42) TLR8PIM2PIM1PIM3NOTUM
SCHEMBL18980205 0.86 PIM2 (0.42) TLR8PIM2PIM1PIM3NOTUM
SCHEMBL21645323 0.86 TLR8 (0.72) TLR8PIM2PIM1PIM3PRKCQ
Hydrochloric Acid SCHEMBL23855279 0.85 PIM2 (0.42) TLR8PIM2PIM1PIM3NOTUM
Hydrochloric Acid SCHEMBL21645218 0.85 TLR8 (0.70) TLR8PIM2PIM1PIM3PRKCQ
SCHEMBL18980372 0.84 TLR8 (0.40) TLR8NOTUMPRKCQ
SCHEMBL18980368 0.84 TLR8 (0.40) TLR8NOTUMPRKCQ

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 3336/4885PIM1 3942/4885

“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.