SCHEMBL25697249

SCHEMBL25697249

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

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CETP P11597 16/20 0.34
KCNH2 Q12809 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
CTSA P10619 1/20 0.33
TRPA1 O75762 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
SCHEMBL25698133 0.74 PDE4B (0.35) CETPROCK2ROCK1
SCHEMBL25698156 0.73 PDE4B (0.34) CETPROCK2ROCK1
SCHEMBL25697596 0.73 ROCK2 (0.30) ROCK2ROCK1
SCHEMBL25697621 0.72 ACSS2 (0.30)
SCHEMBL23958692 0.72 CTSA (0.36) ROCK2ROCK1CTSA
SCHEMBL23958875 0.72 SCN9A (0.36) KCNH2
SCHEMBL23905976 0.71 MAPT (0.32) ROCK2ROCK1
SCHEMBL25697330 0.71 TSHR (0.30)
SCHEMBL25697344 0.69 ACSS2 (0.30)
SCHEMBL25697148 0.67 ACSS2 (0.33)

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 CETP 4310/4885KCNH2 3238/4885ROCK2 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.