SCHEMBL23958591

SCHEMBL23958591

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.38
ADORA2A P29274 3/20 0.34
ADORA1 P30542 3/20 0.34
CNR2 P34972 4/20 0.33
CNR1 P21554 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC34A1 Q06495 2/20 0.32
PTGS2 P35354 2/20 0.32
PTGS1 P23219 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL30007210 1.00 CFTR (0.38) CFTRADORA2AADORA1CNR2CNR1
SCHEMBL23958938 1.00 CFTR (0.38) CFTRADORA2AADORA1CNR2CNR1
SCHEMBL25686538 1.00 CFTR (0.38) CFTRADORA2AADORA1CNR2CNR1
SCHEMBL25687315 0.89 CFTR (0.38) CFTRADORA2AADORA1CYP3A4CYP2C9
SCHEMBL30211264 0.88 CFTR (0.39) CFTRADORA2AADORA1CNR2CNR1
SCHEMBL30692531 0.88 CFTR (0.39) CFTRADORA2AADORA1CNR2CNR1
SCHEMBL25686593 0.88 CFTR (0.39) CFTRADORA2AADORA1CNR2CNR1
SCHEMBL23958625 0.88 CFTR (0.39) CFTRADORA2AADORA1CNR2CNR1
SCHEMBL25686591 0.88 CFTR (0.39) CFTRADORA2AADORA1CNR2CNR1
SCHEMBL23958821 0.87 CFTR (0.36) CFTRADORA2AADORA1CNR2CNR1

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
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 508/4885ADORA2A 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.