SCHEMBL4484038

SCHEMBL4484038

CCOc1ccccc1Oc1nc(Nc2ccc(C3CCN(CCCN(C)C)CC3)cc2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.62
BTK Q06187 2/20 0.62
TNK2 Q07912 2/20 0.62
LCK P06239 1/20 0.62
STAT6 P42226 1/20 0.40
JAK2 O60674 4/20 0.39
PTK2 Q05397 4/20 0.39
SRC P12931 3/20 0.39
PLK1 P53350 1/20 0.38
PLK3 Q9H4B4 1/20 0.38
PLK2 Q9NYY3 1/20 0.38
SIK1 P57059 2/20 0.38
SIK2 Q9H0K1 2/20 0.38
SIK3 Q9Y2K2 2/20 0.38
OPRM1 P35372 1/20 0.37
SYK P43405 1/20 0.37

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
SCHEMBL5688971 0.92 BTK (0.67) JAK3BTKTNK2LCKSTAT6
SCHEMBL4499920 0.89 BTK (0.70) JAK3BTKTNK2LCKSTAT6
SCHEMBL4507769 0.89 LCK (0.74) JAK3BTKTNK2LCKSRC
SCHEMBL4495581 0.87 JAK3 (0.47) JAK3BTKTNK2LCKSTAT6
SCHEMBL4500759 0.86 BTK (0.67) JAK3BTKTNK2LCKSTAT6
SCHEMBL4497470 0.85 LCK (0.76) JAK3BTKTNK2LCKSRC
SCHEMBL4560190 0.83 LCK (0.65) JAK3BTKTNK2LCKSRC
SCHEMBL4496666 0.82 LCK (0.58) JAK3BTKTNK2LCKSRC
SCHEMBL4506260 0.80 LCK (0.69) JAK3BTKTNK2LCKSRC
SCHEMBL5689444 0.80 LCK (0.81) JAK3BTKTNK2LCKSRC

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 JAK3 900/4885BTK 1420/4885TNK2 1854/4885

“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.