SCHEMBL18980372

SCHEMBL18980372

N[C@H]1C[C@@H](C2CC2)CN(c2ccc(C(F)(F)F)c3nccnc23)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.40
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
RBP4 P02753 13/20 0.36
PPARG P37231 1/20 0.34
CYP2C19 P33261 1/20 0.34
PIK3CA P42336 1/20 0.34
NOTUM Q6P988 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCQ Q04759 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
SCHEMBL18980368 1.00 TLR8 (0.40) TLR8PDE3BPDE3ARBP4PPARG
SCHEMBL29722378 1.00 TLR8 (0.40) TLR8PDE3BPDE3ARBP4PPARG
SCHEMBL18980370 1.00 TLR8 (0.40) TLR8PDE3BPDE3ARBP4PPARG
SCHEMBL18980682 0.86 TLR8 (0.53) TLR8RBP4PPARGCYP2C19HCRTR1
SCHEMBL29722299 0.86 TLR8 (0.53) TLR8RBP4PPARGCYP2C19HCRTR1
SCHEMBL18980683 0.86 TLR8 (0.53) TLR8RBP4PPARGCYP2C19HCRTR1
SCHEMBL18980680 0.86 TLR8 (0.53) TLR8RBP4PPARGCYP2C19HCRTR1
SCHEMBL18980205 0.85 PIM2 (0.42) TLR8NOTUM
SCHEMBL30571035 0.85 PIM2 (0.42) TLR8NOTUM
Hydrochloric Acid SCHEMBL23855279 0.84 PIM2 (0.42) TLR8NOTUM

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
CN-108699032-B Polycyclic TLR7/8 antagonists and their use in the treatment of immune disorders 默克专利有限公司 2022-07-22 CN disclosed
CN-113603675-A Polycyclic TLR7/8 antagonists and their use in the treatment of immune disorders 默克专利有限公司 2021-11-05 CN 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
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 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 (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 TLR8 2/4885PDE3B 2196/4885PDE3A 1920/4885
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR8 2/4885PDE3B 2196/4885PDE3A 1920/4885
US-11629134-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TLR8 2/4885PDE3B 2196/4885PDE3A 1920/4885
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR8 2/4885PDE3B 1893/4885PDE3A 1672/4885
US-10947213-B1 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TLR8 2/4885PDE3B 2196/4885PDE3A 1920/4885
US-10544122-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TLR8 2/4885PDE3B 2196/4885PDE3A 1920/4885
US-20200095222-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR8 2/4885PDE3B 2196/4885PDE3A 1920/4885
US-20250059157-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR8 2/4885PDE3B 2196/4885PDE3A 1920/4885
US-10399957-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TLR8 2/4885PDE3B 1843/4885PDE3A 1752/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR8 2/4885PDE3B 1843/4885PDE3A 1752/4885
US-10696649-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TLR8 2/4885PDE3B 2196/4885PDE3A 1920/4885

“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.