SCHEMBL23958708

SCHEMBL23958708

COc1cc(C(=O)NC[C@](O)(c2cc(C(C)(C)O)c(F)c(-c3ccc(F)cc3)n2)C2CC2)cc2cc(C3CC3)nnc12

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.35
IRAK4 Q9NWZ3 1/20 0.32
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGDS O60760 1/20 0.32
MAPT P10636 1/20 0.32
CNR2 P34972 3/20 0.31
CNR1 P21554 1/20 0.31
RIPK1 Q13546 1/20 0.31
PDE10A Q9Y233 2/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL23958761 1.00 CFTR (0.35) CFTRIRAK4ROCK2ROCK1SMN1; SMN2
SCHEMBL23958648 0.94 CFTR (0.34) CFTRIRAK4ROCK2ROCK1SMN1; SMN2
SCHEMBL30007181 0.94 CFTR (0.34) CFTRIRAK4ROCK2ROCK1SMN1; SMN2
SCHEMBL28909172 0.94 CFTR (0.34) CFTRIRAK4ROCK2ROCK1SMN1; SMN2
SCHEMBL25687421 0.94 CFTR (0.34) CFTRIRAK4ROCK2ROCK1SMN1; SMN2
SCHEMBL23958706 0.91 CFTR (0.36) CFTRROCK2ROCK1MAPTCNR2
SCHEMBL30007924 0.91 CFTR (0.36) CFTRROCK2ROCK1MAPTCNR2
SCHEMBL25687411 0.91 CFTR (0.36) CFTRROCK2ROCK1MAPTCNR2
SCHEMBL23958644 0.91 CFTR (0.36) CFTRROCK2ROCK1MAPTCNR2
SCHEMBL30006849 0.91 CFTR (0.39) CFTRIRAK4ROCK2ROCK1MAPT

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 508/4885IRAK4 3673/4885ROCK2 2645/4885

“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.