SCHEMBL4493387

SCHEMBL4493387

COc1cc(Nc2ncc(C(=O)Nc3c(Cl)cccc3Cl)c(Oc3ccc(N4CCNCC4)cc3)n2)cc(OC)c1OCCCN1CCN(C)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.52
JAK3 P52333 2/20 0.52
BTK Q06187 2/20 0.52
TNK2 Q07912 1/20 0.52
EGFR P00533 15/20 0.48
TBK1 Q9UHD2 1/20 0.45
NUAK1 O60285 1/20 0.45
NUAK2 Q9H093 1/20 0.45
BRD4 O60885 2/20 0.44
JAK2 O60674 1/20 0.44
MET P08581 1/20 0.44
FGFR1 P11362 1/20 0.44
SRC P12931 1/20 0.44
KDR P35968 1/20 0.44
ZAP70 P43403 1/20 0.44
SYK P43405 1/20 0.44
TEK Q02763 1/20 0.44
MAPK14 Q16539 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
SCHEMBL4492838 0.93 JAK3 (0.54) LCKJAK3BTKTNK2EGFR
SCHEMBL4489134 0.93 LCK (0.61) LCKJAK3BTKTNK2EGFR
SCHEMBL4488905 0.90 EGFR (0.48) LCKJAK3BTKEGFRTBK1
SCHEMBL4494991 0.90 LCK (0.57) LCKJAK3BTKTNK2EGFR
SCHEMBL4495029 0.88 KDR (0.47) LCKJAK3BTKEGFRTBK1
SCHEMBL4491969 0.88 LCK (0.49) LCKJAK3BTKEGFRTBK1
SCHEMBL4493389 0.88 TNK2 (0.53) LCKJAK3BTKTNK2EGFR
SCHEMBL4481353 0.88 LCK (0.47) LCKJAK3BTKTNK2EGFR
SCHEMBL4493570 0.86 LCK (0.64) LCKJAK3BTKTNK2EGFR
SCHEMBL4489317 0.85 CSF1R (0.47) LCKJAK3BTKTNK2EGFR

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.