SCHEMBL4489503

SCHEMBL4489503

CCCc1ccc(Oc2nc(Nc3ccc(N4CCN(CCN(C)C)CC4)cc3)ncc2C(=O)Nc2c(C)cccc2C)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.58
JAK3 P52333 2/20 0.58
BTK Q06187 1/20 0.58
TNK2 Q07912 1/20 0.58
SRC P12931 8/20 0.44
KDR P35968 2/20 0.44
MAPK14 Q16539 2/20 0.44
FGFR1 P11362 3/20 0.44
TEK Q02763 1/20 0.43
NTRK1 P04629 1/20 0.42
LYN P07948 1/20 0.42
BRD4 O60885 2/20 0.41
HCK P08631 1/20 0.41
CYP1A2 P05177 1/20 0.41
ABCB1 P08183 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 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
SCHEMBL4501029 0.96 LCK (0.56) LCKJAK3BTKTNK2SRC
SCHEMBL5686436 0.94 LCK (0.61) LCKJAK3BTKTNK2SRC
SCHEMBL4492079 0.93 LCK (0.60) LCKJAK3BTKTNK2SRC
SCHEMBL4487653 0.92 LCK (0.59) LCKJAK3BTKTNK2SRC
SCHEMBL4506388 0.92 LCK (0.58) LCKJAK3BTKTNK2SRC
SCHEMBL4493453 0.91 LCK (0.63) LCKJAK3BTKTNK2SRC
SCHEMBL4495493 0.91 LCK (0.55) LCKJAK3BTKTNK2SRC
SCHEMBL4484420 0.90 LCK (0.58) LCKJAK3BTKTNK2SRC
SCHEMBL4488437 0.90 LCK (0.60) LCKJAK3BTKTNK2SRC
SCHEMBL4557625 0.90 LCK (0.66) LCKJAK3BTKTNK2SRC

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.