SCHEMBL4498060

SCHEMBL4498060

COc1ccc(Oc2nc(Nc3ccc(N4CCN(C(C)C)CC4)cc3)ncc2C(=O)Nc2c(C)cccc2C)c(C(=O)N(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.55
JAK3 P52333 2/20 0.55
BTK Q06187 1/20 0.55
TNK2 Q07912 1/20 0.55
CSF1R P07333 6/20 0.46
DAPK1 P53355 3/20 0.46
SYK P43405 1/20 0.45
SRC P12931 5/20 0.44
SIK1 P57059 1/20 0.44
MELK Q14680 1/20 0.44
SIK2 Q9H0K1 1/20 0.44
SIK3 Q9Y2K2 1/20 0.44
EGFR P00533 1/20 0.44
KDR P35968 4/20 0.44
MAPK14 Q16539 4/20 0.44
TEK Q02763 1/20 0.44
BRD4 O60885 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
SCHEMBL4491531 0.91 LCK (0.45) LCKJAK3BTKTNK2CSF1R
SCHEMBL4499021 0.90 LCK (0.63) LCKJAK3BTKTNK2SRC
SCHEMBL4507205 0.89 LCK (0.58) LCKJAK3BTKTNK2CSF1R
SCHEMBL4500492 0.89 LCK (0.60) LCKJAK3BTKTNK2CSF1R
SCHEMBL4495705 0.86 LCK (0.68) LCKJAK3BTKTNK2CSF1R
SCHEMBL4492323 0.85 LCK (0.63) LCKJAK3BTKTNK2SRC
SCHEMBL4481579 0.85 LCK (0.59) LCKJAK3BTKTNK2SRC
SCHEMBL4488069 0.85 LCK (0.59) LCKJAK3BTKTNK2CSF1R
SCHEMBL4498657 0.84 JAK3 (0.62) LCKJAK3BTKTNK2CSF1R
SCHEMBL4496728 0.84 JAK3 (0.64) LCKJAK3BTKTNK2CSF1R

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.