SCHEMBL21645150

SCHEMBL21645150

C[C@@H]1CN(c2cnc(C(F)(F)F)c3ncccc23)C[C@H](CI)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.35
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 1/20 0.33
ALOX12 P18054 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 3/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 2/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NCF1 P14598 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
METAP2 P50579 1/20 0.32
ELANE P08246 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CG P48736 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 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
SCHEMBL21661062 0.91 EIF2AK4 (0.37) TLR8KMT2AMEN1NPC1ALOX12
SCHEMBL21645283 0.91 EIF2AK4 (0.37) TLR8KMT2AMEN1NPC1ALOX12
SCHEMBL21661206 0.87 TLR8 (0.35) TLR8KMT2AMEN1ALOX12RAB9A
SCHEMBL21645079 0.85 NCF1 (0.42) TLR8KMT2AMEN1NPC1ALOX12
SCHEMBL23855094 0.82 HDAC8 (0.40) TLR8METAP2TRPV1MAPK1
SCHEMBL21661505 0.82 TLR7 (0.31) TLR8ELANETLR7
SCHEMBL21661385 0.82 HDAC8 (0.40) TLR8METAP2TRPV1MAPK1
SCHEMBL23855197 0.82 HDAC8 (0.40) TLR8METAP2TRPV1MAPK1
SCHEMBL21661386 0.82 HDAC8 (0.40) TLR8METAP2TRPV1MAPK1
SCHEMBL21645087 0.82 TDP1 (0.37) TLR8KMT2AKDM4EHSD17B10TSHR

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 5 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
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
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 2/4885KMT2A 1065/4885MEN1 4681/4885

“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.