Sugi Predict

Sugi Predict / Compounds / SCHEMBL18980772

SCHEMBL18980772

SCHEMBL18980772

N#Cc1ccc(N2CCC(C(=O)O)CC2)c2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 4/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ RECQL P46063 1/20 0.50
▸ CYP2C19 P33261 1/20 0.49
▸ PDE4A P27815 3/20 0.48
▸ PDE4B Q07343 3/20 0.48
▸ PDE4C Q08493 3/20 0.48
▸ PDE4D Q08499 3/20 0.48
▸ ELANE P08246 4/20 0.46
▸ KEAP1 Q14145 1/20 0.43
▸ TLR9 Q9NR96 4/20 0.42
▸ TLR7 Q9NYK1 4/20 0.42
▸ CTSB P07858 1/20 0.42
▸ KCNMA1 Q12791 1/20 0.42
▸ AR P10275 1/20 0.42
▸ RPS6KB1 P23443 1/20 0.41

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
SCHEMBL18980104 0.90 KDM4E (0.64) TLR8KDM4ERECQLPDE4DELANE
SCHEMBL23369716 0.87 TLR8 (0.47) TLR8KDM4ERECQLELANETLR9
SCHEMBL18980174 0.85 TLR9 (0.51) TLR8KDM4ERECQLCYP2C19PDE4A
SCHEMBL23369715 0.83 TLR8 (0.52) TLR8KDM4ERECQLELANETLR9
SCHEMBL18980252 0.83 RPS6KB1 (0.48) RPS6KB1
SCHEMBL4876295 0.81 AR (0.63) TLR8KDM4ETLR9TLR7KCNMA1
SCHEMBL29722387 0.80 CHRM4 (0.47) TLR8KDM4ERECQLTLR9TLR7
SCHEMBL29722392 0.80 CHRM4 (0.47) TLR8KDM4ERECQLTLR9TLR7
SCHEMBL19009094 0.80 CHRM4 (0.46) TLR8KDM4ERECQLELANETLR9
SCHEMBL29722464 0.80 CHRM4 (0.46) TLR8KDM4ERECQLELANETLR9

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-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-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-3390389-B1 POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS MERCK PATENT GMBH (DE) 2021-05-19 — — 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 (10 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 2/4885KDM4E 1863/4885RECQL 1891/4885
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR8 2/4885KDM4E 1863/4885RECQL 1891/4885
US-11629134-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TLR8 2/4885KDM4E 1863/4885RECQL 1891/4885
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR8 2/4885KDM4E 2099/4885RECQL 1425/4885
US-10947213-B1 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TLR8 2/4885KDM4E 1863/4885RECQL 1891/4885
US-10544122-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TLR8 2/4885KDM4E 1863/4885RECQL 1891/4885
US-20200095222-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR8 2/4885KDM4E 1863/4885RECQL 1891/4885
US-10399957-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TLR8 2/4885KDM4E 1982/4885RECQL 1657/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR8 2/4885KDM4E 1982/4885RECQL 1657/4885
US-10696649-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TLR8 2/4885KDM4E 1863/4885RECQL 1891/4885

“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.