Sugi Predict

Sugi Predict / Compounds / SCHEMBL18980680

SCHEMBL18980680

SCHEMBL18980680

N[C@@H]1C[C@H](C2CC2)CN(c2ccc(C(F)(F)F)c3ncccc23)C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.53
▸ TLR7 Q9NYK1 1/20 0.44
▸ NCF1 P14598 1/20 0.44
▸ PRKCA P17252 3/20 0.38
▸ PRKCQ Q04759 3/20 0.38
▸ RBP4 P02753 6/20 0.38
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CTSB P07858 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ DPP4 P27487 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ PPARG P37231 1/20 0.32

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
SCHEMBL18980682 1.00 TLR8 (0.53) TLR8TLR7NCF1PRKCAPRKCQ
SCHEMBL18980683 1.00 TLR8 (0.53) TLR8TLR7NCF1PRKCAPRKCQ
SCHEMBL29722299 1.00 TLR8 (0.53) TLR8TLR7NCF1PRKCAPRKCQ
SCHEMBL18991680 0.86 TLR8 (0.55) TLR8TLR7NCF1CTSBPIM2
SCHEMBL18979931 0.86 TLR8 (0.55) TLR8TLR7NCF1CTSBPIM2
SCHEMBL18980370 0.86 TLR8 (0.40) TLR8PRKCAPRKCQRBP4HCRTR1
SCHEMBL18980368 0.86 TLR8 (0.40) TLR8PRKCAPRKCQRBP4HCRTR1
SCHEMBL29722378 0.86 TLR8 (0.40) TLR8PRKCAPRKCQRBP4HCRTR1
SCHEMBL18980372 0.86 TLR8 (0.40) TLR8PRKCAPRKCQRBP4HCRTR1
SCHEMBL23893203 0.86 NCF1 (0.43) TLR8TLR7NCF1PRKCAPRKCQ

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 TLR8 2/4885TLR7 1/4885NCF1 761/4885
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR8 2/4885TLR7 1/4885NCF1 761/4885
US-11629134-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TLR8 2/4885TLR7 1/4885NCF1 761/4885
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR8 2/4885TLR7 1/4885NCF1 823/4885
US-10947213-B1 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TLR8 2/4885TLR7 1/4885NCF1 761/4885
US-10544122-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TLR8 2/4885TLR7 1/4885NCF1 761/4885
US-20200095222-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR8 2/4885TLR7 1/4885NCF1 761/4885
US-20250059157-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR8 2/4885TLR7 1/4885NCF1 761/4885
US-10399957-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TLR8 2/4885TLR7 1/4885NCF1 979/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR8 2/4885TLR7 1/4885NCF1 979/4885
US-10696649-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TLR8 2/4885TLR7 1/4885NCF1 761/4885

“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.