SCHEMBL4498172

SCHEMBL4498172

COc1cc(Br)ccc1Oc1nc(Nc2ccc(N3CCN(C)CC3)c(F)c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIK1 P57059 2/20 0.61
SIK2 Q9H0K1 2/20 0.61
SIK3 Q9Y2K2 2/20 0.61
LCK P06239 4/20 0.49
JAK3 P52333 3/20 0.49
BTK Q06187 2/20 0.49
TNK2 Q07912 1/20 0.49
FLT3 P36888 1/20 0.49
SRC P12931 4/20 0.48
KDR P35968 3/20 0.48
MAPK14 Q16539 3/20 0.48
BRD4 O60885 3/20 0.48
JAK1 P23458 2/20 0.48
TEK Q02763 1/20 0.46
AXL P30530 2/20 0.46
BRDT Q58F21 1/20 0.45
JAK2 O60674 1/20 0.45
EGFR P00533 1/20 0.45
PKMYT1 Q99640 1/20 0.44
PAK1 Q13153 1/20 0.44

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
SCHEMBL4496852 0.92 SIK1 (0.65) SIK1SIK2SIK3LCKJAK3
SCHEMBL4500518 0.92 SIK1 (0.61) SIK1SIK2SIK3LCKJAK3
SCHEMBL4495553 0.92 SIK1 (0.61) SIK1SIK2SIK3LCKJAK3
SCHEMBL4495203 0.90 SIK1 (0.64) SIK1SIK2SIK3LCKJAK3
SCHEMBL4498638 0.89 LCK (0.62) LCKJAK3BTKTNK2SRC
SCHEMBL4497629 0.89 SIK1 (0.58) SIK1SIK2SIK3LCKJAK3
SCHEMBL4483257 0.88 SIK1 (0.59) SIK1SIK2SIK3LCKJAK3
SCHEMBL4499120 0.88 LCK (0.51) SIK1SIK2SIK3LCKJAK3
SCHEMBL4497006 0.88 SIK1 (0.65) SIK1SIK2SIK3LCKJAK3
SCHEMBL4496380 0.88 SIK1 (0.69) SIK1SIK2SIK3LCKJAK3

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 SIK1 1588/4885SIK2 1559/4885SIK3 2322/4885

“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.