SCHEMBL6466034

SCHEMBL6466034

COCCOCCN1CC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.65
NUDT14 O95848 2/20 0.65
NUDT5 Q9UKK9 2/20 0.65
LCK P06239 2/20 0.64
LYN P07948 1/20 0.64
SRC P12931 1/20 0.61
KDR P35968 1/20 0.61
TEK Q02763 1/20 0.61
KIT P10721 1/20 0.54
FLT3 P36888 1/20 0.54
EGFR P00533 1/20 0.53

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
SCHEMBL6434082 0.96 BTK (0.60) BTKNUDT14NUDT5LCKLYN
SCHEMBL27604370 0.95 BTK (0.69) BTKNUDT14NUDT5LCKLYN
Acetic Acid SCHEMBL6461687 0.91 BTK (0.64) BTKNUDT14NUDT5LCKLYN
Acetic Acid SCHEMBL6432462 0.87 BTK (0.59) BTKNUDT14NUDT5LCKLYN
SCHEMBL5803152 0.86 BTK (0.70) BTKNUDT14NUDT5LCKLYN
SCHEMBL24574287 0.85 BTK (0.71) BTKNUDT14NUDT5LCKLYN
SCHEMBL24574158 0.85 BTK (0.71) BTKNUDT14NUDT5LCKLYN
SCHEMBL25075269 0.85 BTK (0.73) BTKNUDT14NUDT5LCKLYN
Methoxymethane SCHEMBL6432461 0.84 BTK (0.56) BTKNUDT14NUDT5LCKLYN
SCHEMBL24196789 0.84 BTK (0.81) BTKNUDT14NUDT5LCKLYN

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-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN BTK 42/4885NUDT14 2648/4885NUDT5 2284/4885

“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.