SCHEMBL31008601

SCHEMBL31008601

C=CC(=O)N1CCOCC1c1cc(Cl)cc(-c2ccncn2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.38
▸ MAPK11 Q15759 7/20 0.37
▸ MAPK14 Q16539 7/20 0.37
▸ MAPK1 P28482 2/20 0.35
▸ GRM5 P41594 2/20 0.35
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ BTK Q06187 3/20 0.33
▸ EGFR P00533 3/20 0.33
▸ USP19 O94966 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ BMX P51813 1/20 0.32
▸ ITK Q08881 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ PRKACA P17612 1/20 0.32
▸ FRK P42685 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ CSNK1A1 P48729 1/20 0.32

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
SCHEMBL29333432 1.00 GSK3B (0.38) GSK3BMAPK11MAPK14MAPK1GRM5
SCHEMBL29333552 0.87 MAPK1 (0.40) MAPK1CCNCCDK8BTKEGFR
SCHEMBL29333580 0.86 CCNC (0.36) MAPK1CCNCCDK8BTKEGFR
SCHEMBL31008550 0.86 HCRTR1 (0.36) GSK3BMAPK1GRM5CCNCCDK8
SCHEMBL29333448 0.86 HCRTR1 (0.36) GSK3BMAPK1GRM5CCNCCDK8
SCHEMBL29333420 0.85 CCNC (0.37) MAPK1CCNCCDK8BTKEGFR
SCHEMBL31008646 0.85 CDC7 (0.39) GSK3BMAPK1CCNCCDK8BTK
SCHEMBL29333427 0.85 CDC7 (0.39) GSK3BMAPK1CCNCCDK8BTK
SCHEMBL31008607 0.85 CCNC (0.37) MAPK1CCNCCDK8BTKEGFR
SCHEMBL31008609 0.85 CCNC (0.36) MAPK1GRM5CCNCCDK8EGFR

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 GSK3B 495/4885MAPK11 1578/4885MAPK14 1492/4885

“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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