SCHEMBL25235693

SCHEMBL25235693

COc1cc(C(=O)NCC(O)(c2nc(-c3ccc(F)cc3)c(F)c(C(C)(C)O)c2F)C(F)(F)F)cc2cc(C)nnc12

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.38
MAPT P10636 1/20 0.34
PTGFR P43088 6/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
GABRA5 P31644 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
NR3C1 P04150 1/20 0.32
CNR2 P34972 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
SCHEMBL25686201 1.00 CFTR (0.38) CFTRMAPTPTGFRADORA2AADORA2B
SCHEMBL30007228 1.00 CFTR (0.38) CFTRMAPTPTGFRADORA2AADORA2B
SCHEMBL30007224 0.94 CFTR (0.36) CFTRMAPTPTGFRADORA2AADORA2B
SCHEMBL23958750 0.94 CFTR (0.36) CFTRMAPTPTGFRADORA2AADORA2B
SCHEMBL23958781 0.94 CFTR (0.36) CFTRMAPTPTGFRADORA2AADORA2B
SCHEMBL23958634 0.92 CFTR (0.36) CFTRMAPTPTGFRADORA2AADORA2B
SCHEMBL25687341 0.92 CFTR (0.36) CFTRMAPTPTGFRADORA2AADORA2B
SCHEMBL25687339 0.92 CFTR (0.36) CFTRMAPTPTGFRADORA2AADORA2B
SCHEMBL30007175 0.91 CFTR (0.37) CFTRMAPTPTGFRGABRA5NR3C1
SCHEMBL25240950 0.91 CFTR (0.37) CFTRMAPTPTGFRGABRA5NR3C1

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 508/4885MAPT 4162/4885PTGFR 3859/4885

“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.