SCHEMBL30007267

SCHEMBL30007267

CC(C)(NS(C)(=O)=O)c1cc(Cl)nc(-c2ccc(F)cc2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
SCN9A Q15858 1/20 0.37
PTGS1 P23219 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MITF O75030 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
STAT3 P40763 1/20 0.34
STAT1 P42224 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TLR9 Q9NR96 1/20 0.34
MAP2K4 P45985 1/20 0.34
KIT P10721 1/20 0.34

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
SCHEMBL23958629 1.00 PTGS2 (0.38) PTGS2ADORA2AADORA1ADORA3ADORA2B
SCHEMBL25686642 0.90 SCN9A (0.40) PTGS2ADORA2AADORA1ADORA3ADORA2B
SCHEMBL23958683 0.89 ADORA2A (0.39) PTGS2ADORA2AADORA1ADORA3ADORA2B
SCHEMBL23958600 0.82 CFTR (0.36) PTGS2SCN9APTGS1KDM4EMITF
SCHEMBL23958624 0.81 PTGS2 (0.36) PTGS2SCN9AMAP2K4KIT
SCHEMBL28909129 0.80 TRPV1 (0.34) PTGS2SCN9APTGS1KIT
SCHEMBL23958852 0.80 CFTR (0.35) PTGS2ADORA2AADORA1SCN9APTGS1
SCHEMBL23958770 0.79 CFTR (0.37) PTGS2ADORA2AADORA1SCN9APTGS1
SCHEMBL23958851 0.79 CFTR (0.37) PTGS2ADORA2AADORA1SCN9APTGS1
SCHEMBL25686557 0.79 CFTR (0.37) PTGS2ADORA2AADORA1SCN9APTGS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
CN-115461336-A RSV inhibiting 3-substituted quinoline and cinnoline derivatives 爱尔兰詹森科学公司 2022-12-09 CN 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 (1 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-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES ACE2, SIRT7, ACE PTGS2 2304/4885ADORA2A 3556/4885ADORA1 2376/4885

“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.