SCHEMBL23717027

SCHEMBL23717027

Nc1nc2c(OC(F)(F)F)cc(C(=O)NC[C@](O)(c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@@]4(N)C(F)(F)F)C3CC3)cc2o1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
CFTR P13569 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
SCHEMBL23717031 1.00 ADORA2A (0.32) ADORA2AADORA2BADORA1CFTR
SCHEMBL23717391 0.94 CFTR (0.33) CFTR
SCHEMBL23717392 0.94 CFTR (0.33) CFTR
SCHEMBL23717349 0.93
SCHEMBL23717116 0.90 ADORA2A (0.31) ADORA2AADORA2BADORA1
SCHEMBL23717113 0.90 ADORA2A (0.31) ADORA2AADORA2BADORA1
SCHEMBL23717071 0.88 ADORA2A (0.32) ADORA2AADORA2BADORA1
SCHEMBL23717070 0.88 ADORA2A (0.32) ADORA2AADORA2BADORA1
SCHEMBL23717298 0.87 HDAC6 (0.35) CFTR
SCHEMBL23717302 0.87 HDAC6 (0.35) CFTR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11420976-B2 Heterocyclic compounds as anti-viral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-08-23 US disclosed
US-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2021-08-05 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 (2 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-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS VIP, ACE, FURIN ADORA2A 1689/4885ADORA2B 813/4885ADORA1 1695/4885
US-11420976-B2 Heterocyclic compounds as anti-viral agents VIP, ACE, FURIN ADORA2A 1689/4885ADORA2B 813/4885ADORA1 1695/4885

“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.