Sugi Predict

Sugi Predict / Compounds / SCHEMBL18980746

SCHEMBL18980746

SCHEMBL18980746

C[C@@H]1CN(c2ccc(C#N)c3nccnc23)C[C@H](CN2CCC(N3CCCCC3)CC2)O1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 7/20 0.42
▸ TLR8 Q9NR97 7/20 0.42
▸ TLR7 Q9NYK1 7/20 0.42
▸ HRH3 Q9Y5N1 8/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PDCD1 Q15116 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ JAK2 O60674 1/20 0.32
▸ TBK1 Q9UHD2 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ L3MBTL3 Q96JM7 1/20 0.32
▸ HRH1 P35367 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
SCHEMBL21661451 0.99 TLR9 (0.43) TLR9TLR8TLR7HRH3ALDH1A1
SCHEMBL18980366 0.99 TLR9 (0.43) TLR9TLR8TLR7HRH3ALDH1A1
SCHEMBL18980185 0.92 TLR9 (0.42) TLR9TLR8TLR7ALDH1A1GAA
SCHEMBL21661162 0.91 TLR8 (0.45) TLR9TLR8TLR7HRH3ALDH1A1
SCHEMBL24404851 0.90 TLR8 (0.48) TLR9TLR8TLR7HRH3ALDH1A1
SCHEMBL16664719 0.90 TLR8 (0.48) TLR9TLR8TLR7HRH3ALDH1A1
SCHEMBL16633712 0.90 TLR8 (0.48) TLR9TLR8TLR7HRH3ALDH1A1
SCHEMBL16634345 0.90 TLR8 (0.48) TLR9TLR8TLR7HRH3ALDH1A1
SCHEMBL16634343 0.90 TLR8 (0.48) TLR9TLR8TLR7HRH3ALDH1A1
SCHEMBL19829013 0.90 TLR8 (0.48) TLR9TLR8TLR7HRH3ALDH1A1

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 30 patents — showing the first 20. 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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 — — 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-3889146-A1 POLYHETEROCYCLIC 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
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-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
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-04-22 — — US disclosed
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-10-31 — — 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-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
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
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
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 (7 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 TLR9 3/4885TLR8 2/4885TLR7 1/4885
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR9 3/4885TLR8 2/4885TLR7 1/4885
US-11629134-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TLR9 3/4885TLR8 2/4885TLR7 1/4885
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR9 3/4885TLR8 2/4885TLR7 1/4885
US-20250059157-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR9 3/4885TLR8 2/4885TLR7 1/4885
US-10399957-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TLR9 3/4885TLR8 2/4885TLR7 1/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR9 3/4885TLR8 2/4885TLR7 1/4885

“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.