SCHEMBL19009013

SCHEMBL19009013

CNC(=O)Cc1cn(C)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
MTOR P42345 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
NTRK1 P04629 1/20 0.40
S1PR1 P21453 1/20 0.40
HPGDS O60760 1/20 0.36
NAMPT P43490 1/20 0.34
ACACB O00763 1/20 0.34
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
CPB2 Q96IY4 1/20 0.33
PLK1 P53350 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
MET P08581 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
SCHEMBL19022013 0.83 CYP2C9 (0.43) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL19000039 0.81 S1PR1 (0.45) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL12019273 0.80 CYP2C9 (0.41) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL10288521 0.80 LMNA (0.47) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL27340963 0.79 CYP2C9 (0.50) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL876467 0.79 CYP2C9 (0.50) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL12174842 0.79 CYP2C9 (0.50) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL10272325 0.79 CYP2C9 (0.40) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL13563916 0.79 CYP2C9 (0.46) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL7842865 0.78 CYP2C9 (0.48) CYP2C9TSHRCYP2C19MTORHRH4

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 7 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
US-10947213-B1 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2021-03-16 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-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 (5 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 CYP2C9 2901/4885TSHR 791/4885CYP2C19 3098/4885
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CYP2C9 2901/4885TSHR 791/4885CYP2C19 3098/4885
US-10947213-B1 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 CYP2C9 2901/4885TSHR 791/4885CYP2C19 3098/4885
US-10544122-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 CYP2C9 2901/4885TSHR 791/4885CYP2C19 3098/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CYP2C9 2396/4885TSHR 744/4885CYP2C19 2398/4885

“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.