SCHEMBL25282974

SCHEMBL25282974

COc1cc(C(=O)NCC(O)(c2cc(C(C)(C)O)c(F)c(-c3ccc(F)cc3)n2)C(F)F)cc2cc(C3CC3)nnc12

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.34
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNH2 Q12809 3/20 0.31
MAPT P10636 1/20 0.31
CNR2 P34972 3/20 0.31
SCN9A Q15858 1/20 0.31
RIPK1 Q13546 2/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL25687442 1.00 CFTR (0.34) CFTRROCK2ROCK1SMN1; SMN2KCNH2
SCHEMBL30007492 1.00 CFTR (0.34) CFTRROCK2ROCK1SMN1; SMN2KCNH2
SCHEMBL30007120 0.94 CFTR (0.36) CFTRROCK2ROCK1SMN1; SMN2KCNH2
SCHEMBL28909115 0.94 CFTR (0.36) CFTRROCK2ROCK1SMN1; SMN2KCNH2
SCHEMBL25687423 0.94 CFTR (0.36) CFTRROCK2ROCK1SMN1; SMN2KCNH2
SCHEMBL23958708 0.89 CFTR (0.35) CFTRROCK2ROCK1SMN1; SMN2MAPT
SCHEMBL25239425 0.89 CFTR (0.37) CFTRROCK2ROCK1SMN1; SMN2MAPT
SCHEMBL23958761 0.89 CFTR (0.35) CFTRROCK2ROCK1SMN1; SMN2MAPT
SCHEMBL25687428 0.89 CFTR (0.37) CFTRROCK2ROCK1SMN1; SMN2MAPT
SCHEMBL25240735 0.89 CFTR (0.37) CFTRMAPTCNR2SCN9A

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 1 patent. 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

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 508/4885ROCK2 2645/4885ROCK1 1674/4885

“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.