SCHEMBL4495140

SCHEMBL4495140

Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(OCCCN3CCN(C)CC3)c(F)c2)nc1Oc1ccc(C(=O)N2CCOCC2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.46
BTK Q06187 6/20 0.46
LCK P06239 3/20 0.44
TNK2 Q07912 3/20 0.44
SRC P12931 3/20 0.43
KDR P35968 3/20 0.43
MAPK14 Q16539 1/20 0.43
SIK1 P57059 2/20 0.43
SIK2 Q9H0K1 2/20 0.43
SIK3 Q9Y2K2 2/20 0.43
LRRK2 Q5S007 2/20 0.43
NTRK1 P04629 2/20 0.42
AURKA O14965 1/20 0.41

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
SCHEMBL4493793 0.95 SIK1 (0.45) JAK3BTKLCKTNK2SRC
SCHEMBL5686276 0.93 BTK (0.45) JAK3BTKLCKTNK2SRC
SCHEMBL4508431 0.93 JAK3 (0.48) JAK3BTKLCKTNK2SRC
SCHEMBL4507570 0.92 SIK1 (0.44) JAK3BTKLCKTNK2SRC
SCHEMBL4481283 0.91 BTK (0.42) JAK3BTKLCKTNK2SRC
SCHEMBL4488361 0.91 TNK2 (0.48) JAK3BTKLCKTNK2SRC
SCHEMBL4496582 0.89 SIK1 (0.46) JAK3BTKLCKTNK2SRC
SCHEMBL4506876 0.89 SIK1 (0.48) JAK3BTKLCKTNK2SRC
SCHEMBL4497850 0.89 JAK3 (0.48) JAK3BTKLCKTNK2SRC
SCHEMBL4488695 0.89 SIK1 (0.48) JAK3BTKLCKTNK2SRC

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 JAK3 900/4885BTK 1420/4885LCK 33/4885

“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.