SCHEMBL4496375

SCHEMBL4496375

COc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3C)c(Oc3ccccc3Cl)n2)ccc1N1CCN(C)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 9/20 0.57
PAK1 Q13153 4/20 0.57
EGFR P00533 1/20 0.54
ALK Q9UM73 1/20 0.54
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 0.53
SIK2 Q9H0K1 2/20 0.53
SIK3 Q9Y2K2 2/20 0.53
WEE1 P30291 1/20 0.53
KCNH2 Q12809 1/20 0.53
PKMYT1 Q99640 1/20 0.51
BRD4 O60885 1/20 0.51
HCK P08631 1/20 0.51
FGFR1 P11362 1/20 0.51

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
SCHEMBL4506989 0.94 LCK (0.58) SRCPAK1EGFRALKLCK
SCHEMBL4501804 0.93 PAK1 (0.55) SRCPAK1EGFRALKLCK
SCHEMBL4493902 0.92 PAK1 (0.59) SRCPAK1EGFRALKTNK2
SCHEMBL4487403 0.91 SIK1 (0.60) SRCPAK1EGFRALKLCK
SCHEMBL4495052 0.91 SIK1 (0.64) SRCEGFRLCKJAK3BTK
SCHEMBL4497423 0.91 PAK1 (0.55) SRCPAK1EGFRALKLCK
SCHEMBL4493388 0.91 LCK (0.56) SRCPAK1EGFRALKLCK
SCHEMBL4487640 0.91 LCK (0.66) SRCPAK1EGFRALKLCK
SCHEMBL4509325 0.91 PAK1 (0.54) SRCPAK1EGFRALKLCK
SCHEMBL4487850 0.90 LCK (0.54) SRCPAK1EGFRALKLCK

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 SRC 2472/4885PAK1 403/4885EGFR 2918/4885

“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.