SCHEMBL4497579

SCHEMBL4497579

CCOc1ccccc1Oc1nc(Nc2ccc(N3CCN(C)CC3)c(Cl)c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.67
LCK P06239 1/20 0.67
BTK Q06187 1/20 0.67
TNK2 Q07912 1/20 0.67
SRC P12931 10/20 0.56
SIK1 P57059 2/20 0.53
SIK2 Q9H0K1 2/20 0.53
SIK3 Q9Y2K2 2/20 0.53
NPC1 O15118 1/20 0.51
PAK1 Q13153 3/20 0.49
HCK P08631 1/20 0.49
FGFR1 P11362 1/20 0.49
MAP3K7 O43318 1/20 0.48
MAP2K1 Q02750 1/20 0.48
BRD4 O60885 1/20 0.47

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
SCHEMBL4508239 0.92 LCK (0.65) JAK3LCKBTKTNK2SRC
SCHEMBL4490125 0.92 JAK3 (0.66) JAK3LCKBTKTNK2SRC
SCHEMBL4487640 0.92 LCK (0.66) JAK3LCKBTKTNK2SRC
SCHEMBL4489088 0.89 TNK2 (0.63) JAK3LCKBTKTNK2SRC
SCHEMBL4504109 0.89 LCK (0.84) JAK3LCKBTKTNK2SRC
SCHEMBL4488901 0.88 LCK (0.71) JAK3LCKBTKTNK2SRC
SCHEMBL4495052 0.87 SIK1 (0.64) JAK3LCKBTKTNK2SRC
SCHEMBL4496375 0.87 SRC (0.57) JAK3LCKBTKTNK2SRC
SCHEMBL4506989 0.86 LCK (0.58) JAK3LCKBTKTNK2SRC
SCHEMBL4491335 0.86 SIK1 (0.62) JAK3LCKBTKTNK2SRC

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 900/4885LCK 33/4885BTK 1420/4885

“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.