SCHEMBL4499100

SCHEMBL4499100

CC[C@@H](C)NC(=O)CCc1ccc(Oc2nc(Nc3cc(OC)c(OC)c(OCCCN4CCN(C)CC4)c3)ncc2C(=O)Nc2c(C)cccc2C)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.42
JAK3 P52333 3/20 0.42
BTK Q06187 3/20 0.42
TNK2 Q07912 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
SRC P12931 9/20 0.42
KDR P35968 8/20 0.42
MAPK14 Q16539 4/20 0.42
JAK2 O60674 1/20 0.41
MET P08581 1/20 0.41
FGFR1 P11362 1/20 0.41
ZAP70 P43403 1/20 0.41
SYK P43405 1/20 0.41
TEK Q02763 1/20 0.41
PTK2 Q05397 7/20 0.39

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
SCHEMBL4494229 0.95 TBK1 (0.42) LCKJAK3BTKTNK2TBK1
SCHEMBL4489141 0.95 TBK1 (0.43) LCKJAK3BTKTNK2TBK1
SCHEMBL4491816 0.92 LCK (0.47) LCKJAK3BTKTNK2SRC
SCHEMBL5686501 0.91 LCK (0.43) LCKJAK3BTKTNK2TBK1
SCHEMBL4497970 0.91 LCK (0.46) LCKJAK3BTKTNK2TBK1
SCHEMBL4499815 0.90 LCK (0.45) LCKJAK3BTKTNK2TBK1
SCHEMBL4484671 0.89 PTK2 (0.43) LCKJAK3BTKTNK2TBK1
SCHEMBL4495225 0.88 LCK (0.47) LCKJAK3BTKTNK2TBK1
SCHEMBL4496292 0.87 KDR (0.43) LCKJAK3BTKTNK2SRC
SCHEMBL4484504 0.87 TNK2 (0.47) LCKJAK3BTKTNK2SRC

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.