SCHEMBL4489008

SCHEMBL4489008

COc1cc(/C=C/C(=O)NCc2ccccc2)ccc1Oc1nc(Nc2ccccc2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.49
LCK P06239 1/20 0.49
JAK3 P52333 1/20 0.49
TNK2 Q07912 1/20 0.49
KDM4E B2RXH2 7/20 0.47
MAPT P10636 2/20 0.47
APP P05067 2/20 0.46
ALDH1A1 P00352 5/20 0.45
EGFR P00533 1/20 0.44
MEN1 O00255 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
STAT1 P42224 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ITK Q08881 1/20 0.43
CNR2 P34972 1/20 0.43
POLB P06746 3/20 0.42
HPGD P15428 2/20 0.42
MMP1 P03956 1/20 0.42

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
SCHEMBL4489013 1.00 BTK (0.49) BTKLCKJAK3TNK2KDM4E
SCHEMBL4503246 0.88 LCK (0.55) BTKLCKJAK3TNK2
SCHEMBL4503249 0.88 LCK (0.55) BTKLCKJAK3TNK2
SCHEMBL4484938 0.84 SIK1 (0.52) BTKLCKJAK3TNK2EGFR
SCHEMBL4484935 0.84 SIK1 (0.52) BTKLCKJAK3TNK2EGFR
SCHEMBL4495405 0.82 LCK (0.46) BTKLCKJAK3TNK2
SCHEMBL4495410 0.82 LCK (0.46) BTKLCKJAK3TNK2
SCHEMBL4482504 0.81 BTK (0.47) BTKLCKJAK3TNK2KDM4E
SCHEMBL4500587 0.81 LCK (0.61) BTKLCKJAK3TNK2MAPT
SCHEMBL4498976 0.79 BTK (0.47) BTKLCKJAK3TNK2MAPT

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 1420/4885LCK 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.