SCHEMBL17489871

SCHEMBL17489871

O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCOCCOCCOCCOCCNC(=O)c1ccc(Nc2ncc(Cl)c(Nc3ccc(OC(F)(F)F)cc3)n2)c(OC(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 5/20 0.58
MAP3K7 O43318 1/20 0.56
LY6K Q17RY6 1/20 0.52
EGFR P00533 3/20 0.51
ITK Q08881 2/20 0.51
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
TYK2 P29597 1/20 0.51
JAK3 P52333 1/20 0.51
L3MBTL3 Q96JM7 1/20 0.50
FLT1 P17948 2/20 0.48
FLT4 P35916 2/20 0.48
KDR P35968 2/20 0.48
PKM P14618 2/20 0.46
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
TPSAB1 Q15661 1/20 0.44
SORT1 Q99523 1/20 0.43

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
SCHEMBL17489872 0.89 LY6K (0.53) MAPK3MAP3K7LY6KEGFRITK
SCHEMBL17489866 0.81 MAP3K7 (0.59) MAPK3MAP3K7EGFRITKJAK2
SCHEMBL23685817 0.77 ABL1 (0.56) LY6KEGFRITKL3MBTL3FLT1
SCHEMBL17489625 0.77 SORT1 (0.50) LY6KEGFRITKL3MBTL3FLT1
SCHEMBL18857464 0.75 MAPK3 (0.89) MAPK3MAP3K7LY6KEGFRITK
SCHEMBL15938348 0.74 MAPK3 (0.89) MAPK3MAP3K7EGFRITKJAK2
SCHEMBL15938821 0.73 MAPK3 (1.00) MAPK3MAP3K7LY6KEGFRITK
SCHEMBL23880018 0.72 PKM (0.63) LY6KL3MBTL3PKMF2PRSS1
SCHEMBL13165940 0.72 EGFR (0.81) MAPK3MAP3K7EGFRITKJAK2
SCHEMBL18737564 0.72 EGFR (0.81) MAPK3MAP3K7EGFRITKJAK2

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 MAPK3 3523/4885MAP3K7 3395/4885LY6K 2675/4885

“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.