SCHEMBL4495029

SCHEMBL4495029

COc1cc(Nc2ncc(C(=O)Nc3c(Cl)cccc3Cl)c(Oc3ccc4ccccc4c3)n2)cc(OC)c1OCCCN1CCN(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.47
LCK P06239 4/20 0.47
SRC P12931 4/20 0.47
MAPK14 Q16539 2/20 0.47
JAK2 O60674 1/20 0.47
MET P08581 1/20 0.47
FGFR1 P11362 1/20 0.47
ZAP70 P43403 1/20 0.47
SYK P43405 1/20 0.47
JAK3 P52333 1/20 0.47
TEK Q02763 1/20 0.47
BTK Q06187 1/20 0.47
EGFR P00533 13/20 0.47
TBK1 Q9UHD2 1/20 0.45
NUAK1 O60285 1/20 0.43
NUAK2 Q9H093 1/20 0.43
CSF1R P07333 2/20 0.42

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
SCHEMBL4488905 0.94 EGFR (0.48) KDRLCKSRCMAPK14JAK2
SCHEMBL4491969 0.93 LCK (0.49) KDRLCKSRCMAPK14JAK2
SCHEMBL4481353 0.92 LCK (0.47) KDRLCKSRCMAPK14JAK2
SCHEMBL4489317 0.90 CSF1R (0.47) KDRLCKSRCMAPK14JAK2
SCHEMBL4493387 0.88 LCK (0.52) KDRLCKSRCMAPK14JAK2
SCHEMBL4494514 0.87 CSF1R (0.46) KDRLCKSRCMAPK14MET
SCHEMBL4498991 0.86 LCK (0.52) KDRLCKSRCMAPK14JAK2
SCHEMBL4496342 0.86 JAK3 (0.51) KDRLCKSRCMAPK14JAK3
SCHEMBL4497860 0.85 JAK3 (0.52) KDRLCKSRCMAPK14MET
SCHEMBL4489352 0.85 PAK1 (0.55) SRCFGFR1EGFRNUAK1NUAK2

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 KDR 3785/4885LCK 33/4885SRC 2472/4885

“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.