SCHEMBL4480972

SCHEMBL4480972

CCOc1ccccc1Oc1nc(Nc2ccc(OCCN3CCN(C(C)C)CC3)c(Cl)c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.59
BTK Q06187 4/20 0.59
LCK P06239 2/20 0.59
TNK2 Q07912 1/20 0.59
MET P08581 3/20 0.43
SRC P12931 8/20 0.41
KDR P35968 4/20 0.40
EGFR P00533 1/20 0.40
INSR P06213 1/20 0.39
HCK P08631 1/20 0.38
FGFR1 P11362 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
SCHEMBL4495159 0.92 LCK (0.59) JAK3BTKLCKTNK2MET
SCHEMBL4507271 0.90 LCK (0.59) JAK3BTKLCKTNK2MET
SCHEMBL4559410 0.89 JAK3 (0.46) JAK3BTKLCKTNK2MET
SCHEMBL4508239 0.89 LCK (0.65) JAK3BTKLCKTNK2SRC
SCHEMBL4505329 0.86 LCK (0.51) JAK3BTKLCKTNK2MET
SCHEMBL4491748 0.85 LCK (0.51) JAK3BTKLCKTNK2MET
SCHEMBL4490829 0.84 TNK2 (0.63) JAK3BTKLCKTNK2MET
SCHEMBL4500857 0.84 TNK2 (0.62) JAK3BTKLCKTNK2MET
SCHEMBL4488342 0.84 NTRK1 (0.45) JAK3BTKLCKTNK2MET
SCHEMBL4495262 0.83 LCK (0.43) JAK3BTKLCKTNK2MET

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.