SCHEMBL24345853

SCHEMBL24345853

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

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 11/20 0.34
CSNK1E P49674 11/20 0.34
CFTR P13569 3/20 0.33
IRAK1 P51617 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
PADI4 Q9UM07 1/20 0.30
KMT2A Q03164 1/20 0.30
GABRA5 P31644 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 0.92 CFTR (0.33) CSNK1DCSNK1ECFTRIRAK1IRAK4
SCHEMBL24985131 0.92 CFTR (0.33) CSNK1DCSNK1ECFTRIRAK1IRAK4
SCHEMBL24986157 0.90 CFTR (0.32) CSNK1DCSNK1ECFTRIRAK1IRAK4
SCHEMBL29620739 0.90 CSNK1D (0.31) CSNK1DCSNK1ECFTRIRAK1IRAK4
SCHEMBL24345446 0.90 CSNK1D (0.31) CSNK1DCSNK1ECFTRIRAK1IRAK4
SCHEMBL24345854 0.90 CFTR (0.33) CSNK1DCSNK1ECFTRIRAK1IRAK4
SCHEMBL24988279 0.89 CFTR (0.35) CSNK1DCSNK1ECFTRIRAK1IRAK4
SCHEMBL24988280 0.89 CFTR (0.35) CSNK1DCSNK1ECFTRIRAK1IRAK4
SCHEMBL24345669 0.87 POLB (0.38) CFTRADORA2AADORA2BADORA1KMT2A
SCHEMBL24345270 0.87 POLB (0.38) CFTRADORA2AADORA2BADORA1KMT2A

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-20220119398-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-04-21 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-20220119398-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS VIP, ACE, FURIN CSNK1D 3744/4885CSNK1E 3071/4885CFTR 307/4885

“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.