SCHEMBL4497338

SCHEMBL4497338

COc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3C)c(Oc3cccc(CCC(N)=O)c3)n2)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 4/20 0.50
BTK Q06187 2/20 0.48
EGFR P00533 1/20 0.48
PTK2 Q05397 7/20 0.46
ITK Q08881 3/20 0.45
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
ULK2 Q8IYT8 1/20 0.44
LCK P06239 1/20 0.44
JAK3 P52333 1/20 0.44
TNK2 Q07912 1/20 0.44
KDR P35968 1/20 0.42
SYK P43405 1/20 0.41
CASR P41180 1/20 0.41

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
SCHEMBL4497792 0.85 ULK1 (0.54) ULK1BTKEGFRPTK2ITK
SCHEMBL4565004 0.84 ULK1 (0.58) ULK1BTKEGFRPTK2ITK
SCHEMBL4509298 0.84 ULK1 (0.48) ULK1BTKEGFRPTK2ITK
SCHEMBL4493357 0.84 LCK (0.48) ULK1BTKEGFRPTK2ITK
SCHEMBL4499343 0.82 TBK1 (0.45) ULK1BTKEGFRPTK2LCK
SCHEMBL4496325 0.82 JAK3 (0.57) BTKEGFRPTK2LCKJAK3
SCHEMBL4491666 0.81 BTK (0.65) ULK1BTKEGFRPTK2ITK
SCHEMBL4508785 0.81 BTK (0.51) BTKEGFRITKLCKJAK3
SCHEMBL4499608 0.80 LCK (0.48) ULK1BTKEGFRLCKJAK3
SCHEMBL4499562 0.80 JAK3 (0.55) BTKEGFRLCKJAK3TNK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US claimed
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 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-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 ULK1 1992/4885BTK 1420/4885EGFR 2918/4885

“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.