SCHEMBL4491540

SCHEMBL4491540

C=CCc1ccc(Oc2nc(Nc3ccc(N4CCN(C(C)C)CC4)c(Cl)c3)ncc2C(=O)Nc2c(C)cccc2C)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.47
JAK3 P52333 2/20 0.47
LCK P06239 2/20 0.47
TNK2 Q07912 1/20 0.47
SRC P12931 12/20 0.46
SIK1 P57059 2/20 0.42
SIK2 Q9H0K1 2/20 0.42
SIK3 Q9Y2K2 2/20 0.42
FGFR1 P11362 3/20 0.41
HCK P08631 1/20 0.41
EGFR P00533 2/20 0.40
ALK Q9UM73 1/20 0.40

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
SCHEMBL4494021 0.91 LCK (0.49) BTKJAK3LCKTNK2SRC
SCHEMBL4507641 0.91 LCK (0.57) BTKJAK3LCKTNK2SRC
SCHEMBL4495504 0.88 LCK (0.48) BTKJAK3LCKTNK2SRC
SCHEMBL4490043 0.88 LCK (0.48) BTKJAK3LCKTNK2SRC
SCHEMBL4483257 0.86 SIK1 (0.59) BTKJAK3LCKTNK2SRC
SCHEMBL4508239 0.85 LCK (0.65) BTKJAK3LCKTNK2SRC
SCHEMBL4497928 0.84 LCK (0.47) BTKJAK3LCKTNK2SRC
SCHEMBL4497924 0.84 LCK (0.47) BTKJAK3LCKTNK2SRC
SCHEMBL4480775 0.84 LCK (0.59) BTKJAK3LCKTNK2SRC
SCHEMBL4491531 0.83 LCK (0.45) BTKJAK3LCKTNK2SRC

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 BTK 1420/4885JAK3 900/4885LCK 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.