SCHEMBL4493799

SCHEMBL4493799

CC[C@@H](C)NC(=O)CCc1ccc(Oc2nc(Nc3cccc(OCCCN4CCCCC4)c3)ncc2C(=O)Nc2c(C)cc(C)cc2C)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 10/20 0.40
LCK P06239 2/20 0.40
JAK3 P52333 1/20 0.40
BTK Q06187 1/20 0.40
TNK2 Q07912 1/20 0.40
EGFR P00533 2/20 0.39
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
MAPK14 Q16539 1/20 0.37
IGF1R P08069 1/20 0.36

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
SCHEMBL4495253 0.92 MET (0.41) METLCKJAK3BTKEGFR
SCHEMBL4489536 0.91 LCK (0.43) METLCKJAK3BTKTNK2
SCHEMBL4484504 0.89 TNK2 (0.47) METLCKJAK3BTKTNK2
SCHEMBL4492554 0.87 LCK (0.48) METLCKJAK3BTKTNK2
SCHEMBL4496292 0.86 KDR (0.43) METLCKJAK3BTKTNK2
SCHEMBL4500871 0.86 LCK (0.47) METLCKJAK3BTKTNK2
SCHEMBL4494229 0.86 TBK1 (0.42) METLCKJAK3BTKTNK2
SCHEMBL4497065 0.85 LCK (0.42) METLCKJAK3BTKTNK2
SCHEMBL5686197 0.85 LCK (0.44) METLCKJAK3BTKTNK2
SCHEMBL4491816 0.84 LCK (0.47) METLCKJAK3BTKTNK2

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 MET 2515/4885LCK 33/4885JAK3 900/4885

“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.