SCHEMBL4496211

SCHEMBL4496211

Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(N3CCN(C(C)C)CC3)c(Cl)c2)nc1Oc1ccccc1OCC1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.54
JAK3 P52333 1/20 0.54
BTK Q06187 1/20 0.54
TNK2 Q07912 1/20 0.54
SIK1 P57059 2/20 0.46
SIK2 Q9H0K1 2/20 0.46
SIK3 Q9Y2K2 2/20 0.46
SRC P12931 10/20 0.46
SYK P43405 3/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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) LCKJAK3BTKTNK2SIK1
SCHEMBL4508578 0.90 LCK (0.68) LCKJAK3BTKTNK2SRC
SCHEMBL4491097 0.86 BTK (0.49) LCKJAK3BTKTNK2SIK1
SCHEMBL4507935 0.85 SIK1 (0.64) LCKJAK3BTKTNK2SIK1
SCHEMBL4495504 0.85 LCK (0.48) LCKJAK3BTKTNK2SIK1
SCHEMBL4497579 0.84 JAK3 (0.67) LCKJAK3BTKTNK2SIK1
SCHEMBL4480467 0.84 JAK3 (0.48) LCKJAK3BTKTNK2SIK1
SCHEMBL4494021 0.84 LCK (0.49) LCKJAK3BTKTNK2SIK1
SCHEMBL4491540 0.83 BTK (0.47) LCKJAK3BTKTNK2SIK1
SCHEMBL4498139 0.82 LCK (0.46) LCKJAK3BTKTNK2SIK1

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 LCK 33/4885JAK3 900/4885BTK 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.