SCHEMBL31008587

SCHEMBL31008587

C=CC(=O)N1[C@H](C)COC[C@H]1c1cc(Cl)cc(-c2ccnc(C)n2)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
KRAS P01116 13/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
KMO O15229 1/20 0.32
CCKBR P32239 2/20 0.30
BTK Q06187 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
SCHEMBL29333529 1.00 MAPT (0.35) MAPTKRASKDM4EALDH1A1POLB
SCHEMBL31008631 0.90 CDC7 (0.38) KRASKMOBTK
SCHEMBL29333531 0.90 CDC7 (0.38) KRASKMOBTK
SCHEMBL29333572 0.86 KRAS (0.31) KRAS
SCHEMBL30855082 0.86 KRAS (0.31) KRAS
SCHEMBL31008607 0.84 CCNC (0.37) MAPTKRASKMOBTK
SCHEMBL29333420 0.84 CCNC (0.37) MAPTKRASKMOBTK
SCHEMBL29333403 0.83 SLC6A7 (0.34) KRASCCKBR
SCHEMBL30855187 0.83 MTOR (0.37) CCKBRBTK
SCHEMBL29333564 0.83 MTOR (0.37) CCKBRBTK

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-20240226114-A1 INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. 2024-07-11 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-20240226114-A1 INHIBITORS AND USES THEREOF KEAP1, NQO1, NFE2L2 MAPT 2380/4885KRAS 531/4885KDM4E 1830/4885

“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.