SCHEMBL18980381

SCHEMBL18980381

C[C@@H]1C[C@@H](CN2CCC(N3CCOCC3)CC2)CN(c2ccc(C(F)(F)F)c3ncccc23)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.40
NCF1 P14598 1/20 0.37
KDM4E B2RXH2 2/20 0.35
RAD52 P43351 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TLR8 Q9NR97 1/20 0.34
JAK1 P23458 1/20 0.33
HTR1A P08908 5/20 0.33
SLC40A1 Q9NP59 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
CLK2 P49760 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CSNK2A1 P68400 1/20 0.33
STK3 Q13188 1/20 0.33
HIPK4 Q8NE63 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL18980383 1.00 TLR7 (0.40) TLR7NCF1KDM4ERAD52L3MBTL1
SCHEMBL18980766 1.00 TLR7 (0.40) TLR7NCF1KDM4ERAD52L3MBTL1
SCHEMBL29722322 1.00 TLR7 (0.40) TLR7NCF1KDM4ERAD52L3MBTL1
SCHEMBL18980767 1.00 TLR7 (0.40) TLR7NCF1KDM4ERAD52L3MBTL1
SCHEMBL18980379 1.00 TLR7 (0.40) TLR7NCF1KDM4ERAD52L3MBTL1
SCHEMBL21661354 0.85 KDM4E (0.37) TLR7NCF1KDM4ERAD52L3MBTL1
SCHEMBL21661365 0.85 KDM4E (0.37) TLR7NCF1KDM4ERAD52L3MBTL1
SCHEMBL23894300 0.84 TLR7 (0.42) TLR7NCF1KDM4ERAD52L3MBTL1
SCHEMBL18980466 0.84 TLR7 (0.42) TLR7NCF1KDM4ERAD52L3MBTL1
SCHEMBL18980128 0.84 TLR7 (0.42) TLR7NCF1KDM4ERAD52L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059157-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2025-02-20 US disclosed
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
US-11629134-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2023-04-18 US disclosed
EP-3889145-A1 8-CYANO-5-PIPERIDINO-QUINOLINES AS TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 EP disclosed
EP-3889146-A1 POLYHETEROCYCLIC TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 EP disclosed
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-04-22 US disclosed
US-10947213-B1 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2021-03-16 US disclosed
US-10696649-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-06-30 US disclosed
US-20200095222-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-03-26 US disclosed
US-10544122-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-01-28 US disclosed
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-10-31 US disclosed
US-10399957-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2019-09-03 US disclosed
EP-3390389-A1 POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS Merck Patent GmbH (DE) 2018-10-24 EP disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 US disclosed
WO-2017106607-A1 POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS MERCK PATENT GMBH (DE) 2017-06-22 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 (11 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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR7 1/4885NCF1 761/4885KDM4E 1863/4885
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR7 1/4885NCF1 761/4885KDM4E 1863/4885
US-11629134-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TLR7 1/4885NCF1 761/4885KDM4E 1863/4885
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR7 1/4885NCF1 823/4885KDM4E 2099/4885
US-10947213-B1 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TLR7 1/4885NCF1 761/4885KDM4E 1863/4885
US-10544122-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TLR7 1/4885NCF1 761/4885KDM4E 1863/4885
US-20200095222-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR7 1/4885NCF1 761/4885KDM4E 1863/4885
US-20250059157-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR7 1/4885NCF1 761/4885KDM4E 1863/4885
US-10399957-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TLR7 1/4885NCF1 979/4885KDM4E 1982/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR7 1/4885NCF1 979/4885KDM4E 1982/4885
US-10696649-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TLR7 1/4885NCF1 761/4885KDM4E 1863/4885

“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.