SCHEMBL6465778

SCHEMBL6465778

CC(C)(C)OC(=O)N(CCO)CCC(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1.Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCN(C(=O)CCNCCO)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.56
EGFR P00533 6/20 0.56
LCK P06239 4/20 0.56
ITK Q08881 3/20 0.56
KIT P10721 1/20 0.56
FLT3 P36888 1/20 0.56
NUDT14 O95848 1/20 0.53
NUDT5 Q9UKK9 1/20 0.53
LYN P07948 1/20 0.50

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
SCHEMBL5803241 0.95 BTK (0.61) BTKEGFRLCKITKKIT
SCHEMBL6431614 0.89 BTK (0.68) BTKEGFRLCKITKKIT
SCHEMBL6433565 0.88 BTK (0.61) BTKEGFRLCKITKKIT
SCHEMBL5822934 0.85 BTK (0.48) BTKEGFRLCKITKKIT
SCHEMBL5802419 0.83 BTK (0.69) BTKEGFRLCKITKKIT
SCHEMBL6430393 0.82 BTK (0.69) BTKEGFRLCKITKKIT
SCHEMBL5816014 0.82 BTK (0.66) BTKEGFRLCKITKKIT
SCHEMBL6634665 0.81 BTK (0.68) BTKEGFRLCKITKKIT
SCHEMBL30615720 0.80 BTK (0.84) BTKEGFRLCKITKKIT
SCHEMBL5823164 0.80 BTK (0.84) BTKEGFRLCKITKKIT

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-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 US disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 EP 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 42/4885EGFR 818/4885LCK 1/4885

“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.