SCHEMBL4490938

SCHEMBL4490938

COc1cc(-c2cccc(C#N)c2)ccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
LCK P06239 3/20 0.46
BTK Q06187 2/20 0.46
JAK3 P52333 1/20 0.46
TNK2 Q07912 1/20 0.46
PTK2 Q05397 5/20 0.46
BRAF P15056 1/20 0.46
ULK1 O75385 3/20 0.45
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
ULK2 Q8IYT8 1/20 0.44
EGFR P00533 1/20 0.41
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 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
SCHEMBL4496367 0.89 ULK1 (0.49) LCKBTKJAK3TNK2PTK2
SCHEMBL4496241 0.88 PRKCA (0.51) CYP2C9CYP2C19LCKBTKJAK3
SCHEMBL4485125 0.88 ULK1 (0.47) CYP2C9CYP2C19LCKBTKJAK3
SCHEMBL4499876 0.88 ULK1 (0.47) CYP2C9CYP2C19LCKBTKJAK3
SCHEMBL4503872 0.87 ULK1 (0.49) LCKBTKJAK3TNK2PTK2
SCHEMBL4497347 0.86 ULK1 (0.46) CYP2C9CYP2C19LCKBTKJAK3
SCHEMBL4492474 0.86 ULK1 (0.46) CYP2C9CYP2C19LCKBTKJAK3
SCHEMBL4498711 0.85 PLK1 (0.47) LCKBTKJAK3TNK2PTK2
SCHEMBL4565004 0.84 ULK1 (0.58) LCKBTKJAK3TNK2PTK2
SCHEMBL4505920 0.84 NPC1 (0.46) LCKBTKJAK3TNK2ULK1

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 CYP2C9 2149/4885CYP2C19 2241/4885LCK 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.