SCHEMBL31008554

SCHEMBL31008554

C=CC(=O)N1CCOC[C@H]1c1cc(Cl)cc(-c2ccc(N)nn2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ SCD5 Q86SK9 1/20 0.33
▸ PIK3CA P42336 2/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ RPTOR Q8N122 1/20 0.32
▸ MLST8 Q9BVC4 1/20 0.32
▸ SRC P12931 1/20 0.31
▸ USP19 O94966 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ BTK Q06187 5/20 0.31
▸ EGFR P00533 2/20 0.31
▸ BMX P51813 2/20 0.31
▸ ITK Q08881 2/20 0.31
▸ ENPP2 Q13822 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
SCHEMBL29333555 1.00 CCNC (0.35) CCNCCDK8MAPK1SCD5PIK3CA
SCHEMBL29333783 0.86 MAPK1 (0.34) CCNCCDK8MAPK1PIK3CABTK
SCHEMBL31008618 0.86 MAPK1 (0.34) CCNCCDK8MAPK1PIK3CABTK
SCHEMBL31008658 0.86 PIK3CA (0.39) CCNCCDK8MAPK1PIK3CAMTOR
SCHEMBL31008588 0.86 JAK2 (0.35) CCNCCDK8MAPK1USP19BTK
SCHEMBL29333491 0.86 JAK2 (0.35) CCNCCDK8MAPK1USP19BTK
SCHEMBL29333753 0.86 PIK3CA (0.39) CCNCCDK8MAPK1PIK3CAMTOR
SCHEMBL31008544 0.85 MAPK1 (0.35) CCNCCDK8MAPK1PIK3CABTK
SCHEMBL29333751 0.85 MAPK1 (0.35) CCNCCDK8MAPK1PIK3CABTK
SCHEMBL31008538 0.85 MAPK1 (0.34) CCNCCDK8MAPK1

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 CCNC 4349/4885CDK8 1776/4885MAPK1 1406/4885

“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.

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