SCHEMBL1895439

SCHEMBL1895439

CCS(=O)(=O)CCN[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.48
PIK3CB P42338 2/20 0.48
PIK3CG P48736 2/20 0.48
PIK3CA P42336 1/20 0.48
CXCR3 P49682 14/20 0.47
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MAPT P10636 1/20 0.42
PDE10A Q9Y233 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL1895441 1.00 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CACXCR3
SCHEMBL12659732 0.92 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CACXCR3
SCHEMBL1888481 0.90 MAPT (0.52) CXCR3KCNH2HRH3MAPTLMNA
SCHEMBL1888478 0.90 MAPT (0.52) CXCR3KCNH2HRH3MAPTLMNA
SCHEMBL1894543 0.89 CXCR3 (0.59) PIK3CDPIK3CBPIK3CGPIK3CACXCR3
SCHEMBL1894544 0.89 CXCR3 (0.59) PIK3CDPIK3CBPIK3CGPIK3CACXCR3
SCHEMBL12672676 0.88 PIK3CD (0.50) PIK3CDPIK3CBPIK3CGPIK3CACXCR3
SCHEMBL5578698 0.82 MEN1 (0.52) KCNH2HRH3MAPTPDE10ALMNA
SCHEMBL12659739 0.81 CXCR3 (0.50) CXCR3KCNH2HRH3MAPTLMNA
SCHEMBL14178881 0.81 CXCR3 (0.52) PIK3CDPIK3CBPIK3CGPIK3CACXCR3

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-7939538-B2 Compounds, compositions and methods for prevention and treatment of inflammatory and immunoregulatory disorders and diseases AMGEN INC. (US) 2011-05-10 US disclosed
US-7939538-B2 Compounds, compositions and methods for prevention and treatment of inflammatory and immunoregulatory disorders and diseases AMGEN INC. (US) 2011-05-10 US disclosed
US-20060069099-A1 Compounds, compositions and methods for prevention and treatment of inflammatory and immunoregulatory disorders and diseases AMGEN SF, LLC 2006-03-30 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-20060069099-A1 Compounds, compositions and methods for prevention and treatment of inflammatory and immunoregulatory disorders and diseases MSR1, TNF, HLA-DRB1 PIK3CD 4073/4885PIK3CB 3874/4885PIK3CG 3886/4885

“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.