SCHEMBL4493451

SCHEMBL4493451

CCOc1ccccc1Oc1nc(Nc2ccc(CCN(CC)CC)cc2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 2/20 0.66
LCK P06239 1/20 0.66
JAK3 P52333 1/20 0.66
BTK Q06187 1/20 0.66
IGF1R P08069 1/20 0.43
MAPT P10636 3/20 0.40
ITK Q08881 1/20 0.39
SRC P12931 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL4489554 0.88 LCK (0.62) TNK2LCKJAK3BTKMAPT
SCHEMBL4494707 0.87 LCK (0.51) TNK2LCKJAK3BTKIGF1R
SCHEMBL4506260 0.84 LCK (0.69) TNK2LCKJAK3BTKSRC
SCHEMBL4495500 0.83 LCK (0.57) TNK2LCKJAK3BTKIGF1R
SCHEMBL4491071 0.83 LCK (0.56) TNK2LCKJAK3BTKMAPT
SCHEMBL4484444 0.83 LCK (0.64) TNK2LCKJAK3BTKMAPT
SCHEMBL5686195 0.82 LCK (0.55) TNK2LCKJAK3BTKITK
SCHEMBL4497014 0.81 LCK (0.65) TNK2LCKJAK3BTKMAPT
SCHEMBL4501181 0.81 LCK (0.55) TNK2LCKJAK3BTKMAPT
SCHEMBL4485294 0.81 LCK (0.70) TNK2LCKJAK3BTKIGF1R

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 TNK2 1854/4885LCK 33/4885JAK3 900/4885

“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.