SCHEMBL23930276

SCHEMBL23930276

CC(C)(O)c1cc(C(C)(O)CN)nc(-c2ccc(F)cc2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.36
CNR2 P34972 5/20 0.35
CNR1 P21554 3/20 0.35
ADORA2A P29274 3/20 0.34
ADORA1 P30542 3/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
SLC34A1 Q06495 2/20 0.32
FAAH O00519 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PGR P06401 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
SCHEMBL25686491 1.00 CFTR (0.36) CFTRCNR2CNR1ADORA2AADORA1
SCHEMBL23958821 1.00 CFTR (0.36) CFTRCNR2CNR1ADORA2AADORA1
SCHEMBL23958872 0.89 PDCD1 (0.33) ADORA2AADORA1ADORA3PGR
SCHEMBL25688941 0.88 BRAF (0.33) PGR
SCHEMBL25688937 0.88 PGR (0.32) PGR
SCHEMBL23958938 0.87 CFTR (0.38) CFTRCNR2CNR1ADORA2AADORA1
SCHEMBL30007210 0.87 CFTR (0.38) CFTRCNR2CNR1ADORA2AADORA1
SCHEMBL25686538 0.87 CFTR (0.38) CFTRCNR2CNR1ADORA2AADORA1
SCHEMBL23958591 0.87 CFTR (0.38) CFTRCNR2CNR1ADORA2AADORA1
SCHEMBL23958586 0.84 CFTR (0.33) CFTRCNR2CNR1ADORA2AADORA1

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 5 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
EP-4139293-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2023-03-01 EP 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
WO-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed
WO-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 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 (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 CFTR 508/4885CNR2 646/4885CNR1 183/4885

“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.