SCHEMBL4501804

SCHEMBL4501804

COc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3C)c(Oc3ccc(Cl)cc3Cl)n2)ccc1N1CCN(C)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 7/20 0.55
EGFR P00533 1/20 0.53
ALK Q9UM73 1/20 0.53
SRC P12931 6/20 0.53
SIK1 P57059 2/20 0.52
SIK2 Q9H0K1 2/20 0.52
SIK3 Q9Y2K2 2/20 0.52
PKMYT1 Q99640 1/20 0.50
WEE1 P30291 1/20 0.50
KCNH2 Q12809 1/20 0.50
LCK P06239 1/20 0.49
JAK3 P52333 1/20 0.49
BTK Q06187 1/20 0.49
TNK2 Q07912 1/20 0.49
TNIK Q9UKE5 1/20 0.48
BRD4 O60885 1/20 0.48

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
SCHEMBL4509325 0.95 PAK1 (0.54) PAK1EGFRALKSRCSIK1
SCHEMBL4496375 0.93 SRC (0.57) PAK1EGFRALKSRCSIK1
SCHEMBL4493407 0.91 SIK1 (0.63) PAK1EGFRSRCSIK1SIK2
SCHEMBL4508084 0.91 PAK1 (0.54) PAK1EGFRALKSRCSIK1
SCHEMBL4506989 0.90 LCK (0.58) PAK1EGFRALKSRCSIK1
SCHEMBL4497423 0.89 PAK1 (0.55) PAK1EGFRALKSRCSIK1
SCHEMBL4497239 0.89 LCK (0.61) EGFRSRCLCKJAK3BTK
SCHEMBL4501072 0.89 PAK1 (0.53) PAK1EGFRALKSRCSIK1
SCHEMBL4495553 0.89 SIK1 (0.61) PAK1EGFRALKSRCSIK1
SCHEMBL4487403 0.87 SIK1 (0.60) PAK1EGFRALKSRCSIK1

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 PAK1 403/4885EGFR 2918/4885ALK 4437/4885

“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.