SCHEMBL4488534

SCHEMBL4488534

Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(OC[C@@H]3CCCN3)cc2)nc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.49
TNK2 Q07912 2/20 0.49
LCK P06239 1/20 0.49
JAK3 P52333 1/20 0.49
ITK Q08881 3/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SYK P43405 2/20 0.39
KCNH2 Q12809 2/20 0.39
MAPK3 P27361 1/20 0.39
MAPK1 P28482 1/20 0.39
AURKB Q96GD4 1/20 0.39
SRC P12931 1/20 0.38
SCN9A Q15858 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38

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
SCHEMBL4504163 0.89 LCK (0.52) BTKTNK2LCKJAK3ITK
SCHEMBL4496267 0.88 LCK (0.47) BTKTNK2LCKJAK3ITK
SCHEMBL4495790 0.87 LCK (0.57) BTKTNK2LCKJAK3ITK
SCHEMBL4504866 0.85 LCK (0.48) BTKTNK2LCKJAK3ITK
SCHEMBL4507796 0.79 SRC (0.60) BTKTNK2LCKJAK3MAPK1
SCHEMBL4486167 0.78 LCK (0.61) BTKTNK2LCKJAK3ITK
SCHEMBL4494221 0.78 LCK (0.60) BTKTNK2LCKJAK3ITK
SCHEMBL4500405 0.78 LCK (0.60) BTKTNK2LCKJAK3ITK
SCHEMBL4491697 0.77 JAK3 (0.57) BTKTNK2LCKJAK3KCNH2
SCHEMBL4489739 0.77 LCK (0.51) BTKTNK2LCKJAK3ITK

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 1420/4885TNK2 1854/4885LCK 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.