SCHEMBL24985131

SCHEMBL24985131

COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)C(F)(F)F)cc2cn(C)nc12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.33
IRAK4 Q9NWZ3 3/20 0.32
IRAK1 P51617 2/20 0.32
CSNK1D P48730 4/20 0.32
CSNK1E P49674 4/20 0.32
PADI4 Q9UM07 1/20 0.31
BTK Q06187 1/20 0.31
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
NAMPT P43490 1/20 0.30
KCNH2 Q12809 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
SCHEMBL24985127 1.00 CFTR (0.33) CFTRIRAK4IRAK1CSNK1DCSNK1E
SCHEMBL25116410 0.93 CFTR (0.32) CFTRIRAK4IRAK1POLBKMT2A
SCHEMBL25116211 0.93 CFTR (0.32) CFTRIRAK4IRAK1POLBKMT2A
SCHEMBL24986157 0.93 CFTR (0.32) CFTRIRAK4IRAK1CSNK1DCSNK1E
SCHEMBL25113825 0.93 GPR6 (0.32) CFTRIRAK4
SCHEMBL25113822 0.93 GPR6 (0.32) CFTRIRAK4
SCHEMBL24345853 0.92 CSNK1D (0.34) CFTRIRAK4IRAK1CSNK1DCSNK1E
SCHEMBL24986524 0.92 CFTR (0.33) CFTRIRAK4CSNK1DCSNK1ENAMPT
SCHEMBL24986527 0.92 CFTR (0.33) CFTRIRAK4CSNK1DCSNK1ENAMPT
SCHEMBL24988279 0.92 CFTR (0.35) CFTRIRAK4IRAK1CSNK1DCSNK1E

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-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARM INC (US) 2023-04-27 US disclosed
US-11572367-B2 Antiviral heterocyclic compounds ENANTA PHARMACEUTICALS, INC. (US) 2023-02-07 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-11572367-B2 Antiviral heterocyclic compounds ACE, HPRT1, ACE2 CFTR 283/4885IRAK4 1736/4885IRAK1 1735/4885
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 CFTR 283/4885IRAK4 1736/4885IRAK1 1735/4885

“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.