SCHEMBL25697280

SCHEMBL25697280

COc1cc(C(=O)NC[C@@](O)(c2nc(-c3ccc(P)cc3)cc(C(C)(C)O)c2C)C(F)(F)F)cc2cc(C)nnc12

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGFR P43088 2/20 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
SCHEMBL25697265 1.00 CFTR (0.31) CFTRMEN1KMT2ARXFP1KDM4E
SCHEMBL25687417 0.87 SCN9A (0.36) CFTR
SCHEMBL25687420 0.87 SCN9A (0.36) CFTR
SCHEMBL23958803 0.87 SCN9A (0.36) CFTR
SCHEMBL25697304 0.84 ACSS2 (0.32) MEN1KMT2ARXFP1KDM4ERAB9A
SCHEMBL25687476 0.80 SCN9A (0.38) CFTRKMT2ARXFP1SMN1; SMN2
SCHEMBL30007116 0.80 SCN9A (0.38) CFTRKMT2ARXFP1SMN1; SMN2
SCHEMBL25687377 0.80 SCN9A (0.38) CFTRMEN1KMT2ARXFP1SMN1; SMN2
SCHEMBL23958713 0.80 SCN9A (0.38) CFTRKMT2ARXFP1SMN1; SMN2
SCHEMBL25687474 0.80 SCN9A (0.38) CFTRKMT2ARXFP1SMN1; SMN2

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 508/4885MEN1 940/4885KMT2A 3227/4885

“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.