SCHEMBL31008553

SCHEMBL31008553

C=CC(=O)N1CCOCC1c1cc(Cl)nc(-c2ccnc(C)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
SRC P12931 1/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
HCRTR1 O43613 3/20 0.31
HCRTR2 O43614 3/20 0.31
CYP3A4 P08684 3/20 0.31
MAPK1 P28482 2/20 0.31
BTK Q06187 6/20 0.30
ITK Q08881 2/20 0.30
TEC P42680 1/20 0.30
TXK P42681 1/20 0.30
KRAS P01116 1/20 0.30
USP19 O94966 1/20 0.30
EGFR P00533 1/20 0.30
BMX P51813 1/20 0.30
ENPP2 Q13822 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
SCHEMBL29333547 1.00 CCNC (0.36) CCNCCDK8SRCJAK2JAK1
SCHEMBL29333420 0.86 CCNC (0.37) CCNCCDK8SRCJAK2JAK1
SCHEMBL31008607 0.86 CCNC (0.37) CCNCCDK8SRCJAK2JAK1
SCHEMBL31008627 0.84 KRAS (0.31) BTKITKTECTXKKRAS
SCHEMBL29333546 0.84 KRAS (0.31) BTKITKTECTXKKRAS
SCHEMBL29333572 0.83 KRAS (0.31) KRAS
SCHEMBL30855082 0.83 KRAS (0.31) KRAS
SCHEMBL29334354 0.83 CCNC (0.38) CCNCCDK8SRCJAK3HCRTR1
SCHEMBL29334361 0.82 USP19 (0.41) CCNCCDK8SRCMAPK1BTK
SCHEMBL31223365 0.81 PIK3CA (0.35) CCNCCDK8JAK2JAK1TYK2

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 1776/4885SRC 2650/4885

“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.