SCHEMBL17489869

SCHEMBL17489869

O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCOCCOCCOCCOCCNC(=O)C1CCCN(CCOc2ccc(Nc3ccnc(Nc4ccccc4OC(F)(F)F)n3)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.48
MAPK3 P27361 5/20 0.44
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
TPSAB1 Q15661 1/20 0.43
GIGYF2 Q6Y7W6 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
EGFR P00533 2/20 0.43
ITK Q08881 2/20 0.43
NOXO1 Q8NFA2 1/20 0.42
FOLH1 Q04609 3/20 0.42
PKM P14618 1/20 0.41
LY6K Q17RY6 1/20 0.41
PDE6D O43924 1/20 0.41
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
CHI3L1 P36222 1/20 0.40

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
SCHEMBL17489866 0.91 MAP3K7 (0.59) MAP3K7MAPK3F2PLGPRSS1
SCHEMBL17489872 0.80 LY6K (0.53) MAP3K7MAPK3F2PRSS1PRSS2
SCHEMBL17489871 0.71 MAPK3 (0.58) MAP3K7MAPK3F2PRSS1PRSS2
SCHEMBL23685817 0.67 ABL1 (0.56) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL17489625 0.67 SORT1 (0.50) F2PLGPRSS1PRSS2PRSS3
SCHEMBL19017236 0.66 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19751698 0.66 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL15216220 0.66 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL4968230 0.66 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24142434 0.65 EGFR (0.56) MAP3K7F2PLGPRSS1PRSS2

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-20160031826-A1 Substituted Heterocyclic Compounds for Treating or Preventing Viral Infections PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-02-04 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-20160031826-A1 Substituted Heterocyclic Compounds for Treating or Preventing Viral Infections HAVCR2, DDX5, DPYD MAP3K7 3395/4885MAPK3 3523/4885F2 151/4885

“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.