SCHEMBL31008656

SCHEMBL31008656

C=CC(=O)N1CCOCC1c1cc(Cl)nc(-c2cc(C(N)=O)ncn2)c1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
MAPK1 P28482 1/20 0.31
MTOR P42345 1/20 0.30
EGFR P00533 4/20 0.30
KMO O15229 2/20 0.30
BMX P51813 2/20 0.30
ITK Q08881 2/20 0.30
JAK3 P52333 2/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 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
SCHEMBL29333551 1.00 BTK (0.32) BTKLMNAPOLBHTTHSD17B10
SCHEMBL29333545 0.90 MAPK1 (0.33) BTKCCNCCDK8MAPK1EGFR
SCHEMBL29333526 0.86 KMO (0.39) BTKCCNCCDK8MAPK1EGFR
SCHEMBL31008633 0.86 KMO (0.39) BTKCCNCCDK8MAPK1EGFR
SCHEMBL29333557 0.85 EGFR (0.32) CCNCCDK8EGFRKMO
SCHEMBL31008595 0.85 EGFR (0.32) CCNCCDK8EGFRKMO
SCHEMBL29333578 0.84 MAPK1 (0.35) CCNCCDK8MAPK1
SCHEMBL29334354 0.84 CCNC (0.38) BTKCCNCCDK8MAPK1EGFR
SCHEMBL29333690 0.81 KRAS (0.32) KMO
SCHEMBL29336018 0.81 KRAS (0.32) KMO

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 BTK 3290/4885LMNA 1176/4885POLB 3287/4885

“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.