SCHEMBL24345425

SCHEMBL24345425

COc1cc(C(C)(C)CCn2cc3cc(C(C)C)cc(F)c3n2)cc2cn(C)nc12

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.36
IRAK1 P51617 1/20 0.36
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CASR P41180 1/20 0.31

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
SCHEMBL23717463 0.75 CASR (0.34) CASR
SCHEMBL19836557 0.75 OPRK1 (0.32)
SCHEMBL29304355 0.67 MAPT (0.34) CASR
SCHEMBL29303250 0.65 PDGFRB (0.34) CASR
SCHEMBL25481645 0.64 HTT (0.33)
SCHEMBL29304382 0.63
SCHEMBL29304481 0.62 EGFR (0.32)
SCHEMBL26762029 0.62 CRHR1 (0.32) CASR
SCHEMBL29304433 0.61 JAK1 (0.37)
SCHEMBL20746863 0.60 KDM4E (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-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 IRAK4 2872/4885IRAK1 2721/4885CNR1 1456/4885

“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.