SCHEMBL23958644

SCHEMBL23958644

COc1cc(C(=O)NCC(O)(c2cc(C(C)(C)O)c(F)c(-c3ccc(F)cc3)n2)C2CC2)cc2cc(C)nnc12

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.36
CTSA P10619 1/20 0.32
MAPT P10636 1/20 0.32
PTGFR P43088 5/20 0.32
CNR2 P34972 3/20 0.32
SCN9A Q15858 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK14 Q16539 1/20 0.32
CNR1 P21554 1/20 0.32
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 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
SCHEMBL30007924 1.00 CFTR (0.36) CFTRCTSAMAPTPTGFRCNR2
SCHEMBL23958706 1.00 CFTR (0.36) CFTRCTSAMAPTPTGFRCNR2
SCHEMBL25687411 1.00 CFTR (0.36) CFTRCTSAMAPTPTGFRCNR2
SCHEMBL30007063 0.95 CFTR (0.34) CFTRMAPTSCN9ACYP2C9MAPK14
SCHEMBL30007246 0.94 CNR1 (0.37) CFTRCTSAMAPTCYP2C9MAPK14
SCHEMBL28909201 0.94 CNR1 (0.37) CFTRCTSAMAPTCYP2C9MAPK14
SCHEMBL25687416 0.94 CNR1 (0.37) CFTRCTSAMAPTCYP2C9MAPK14
SCHEMBL23958772 0.94 MAPT (0.35) CFTRCTSAMAPTCYP2C9MAPK14
SCHEMBL23958647 0.94 CFTR (0.35) CFTRMAPTPTGFRCNR2SCN9A
SCHEMBL25232511 0.94 CFTR (0.31) CFTRCYP2C9MAPK14

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 3 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
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 508/4885CTSA 473/4885MAPT 4162/4885

“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.