SCHEMBL19009842

SCHEMBL19009842

N#Cc1ccc(N2CCNCC2)c2nccnc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.52
ROCK1 Q13464 1/20 0.52
CDC42BPB Q9Y5S2 1/20 0.52
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
SLC6A4 P31645 1/20 0.50
ALDH1A1 P00352 1/20 0.47
MAPT P10636 2/20 0.44
PIM1 P11309 2/20 0.43
CDK9 P50750 2/20 0.43
CDC7 O00311 1/20 0.43
TLR9 Q9NR96 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
ACVR1 Q04771 3/20 0.43
BMPR1B O00238 2/20 0.43
BMPR1A P36894 2/20 0.43
ACVR1B P36896 2/20 0.43
ACVRL1 P37023 2/20 0.43
DRD2 P14416 1/20 0.42

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
SCHEMBL4879640 0.86 AR (0.53) ROCK2ROCK1CDC42BPBALDH1A1MAPT
SCHEMBL18980506 0.77 TLR9 (0.47) ALDH1A1TLR9TLR8TLR7
SCHEMBL23369798 0.77 TLR8 (0.47) ROCK2ROCK1CDC42BPBALDH1A1TLR9
SCHEMBL23628860 0.76 TLR8 (0.41) ROCK2ROCK1CDC42BPBHTR2AHTR2C
SCHEMBL23628874 0.76 TLR9 (0.37) ROCK2ROCK1CDC42BPBHTR2AHTR2C
SCHEMBL23760672 0.76 TLR8 (0.41) ROCK2ROCK1CDC42BPBHTR2AHTR2C
SCHEMBL25701881 0.76 TLR9 (0.44) ROCK2ROCK1CDC42BPBALDH1A1PIM1
SCHEMBL18980174 0.75 TLR9 (0.51) TLR9TLR8TLR7
SCHEMBL28604131 0.74 LRRK2 (0.36) ALDH1A1MAPTTLR9TLR8TLR7
SCHEMBL8737447 0.74 ALDH1A1 (0.48) ROCK2ROCK1CDC42BPBHTR2AALDH1A1

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 13 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
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
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
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 (9 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 ROCK2 3957/4885ROCK1 3771/4885CDC42BPB 749/4885
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ROCK2 3957/4885ROCK1 3771/4885CDC42BPB 749/4885
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ROCK2 4047/4885ROCK1 4103/4885CDC42BPB 680/4885
US-10947213-B1 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 ROCK2 3957/4885ROCK1 3771/4885CDC42BPB 749/4885
US-10544122-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 ROCK2 3957/4885ROCK1 3771/4885CDC42BPB 749/4885
US-20200095222-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ROCK2 3957/4885ROCK1 3771/4885CDC42BPB 749/4885
US-10399957-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 ROCK2 3817/4885ROCK1 3801/4885CDC42BPB 898/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ROCK2 3817/4885ROCK1 3801/4885CDC42BPB 898/4885
US-10696649-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 ROCK2 3957/4885ROCK1 3771/4885CDC42BPB 749/4885

“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.