SCHEMBL17209359

SCHEMBL17209359

N#CCc1ccc2ncnc(Cl)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 11/20 0.45
PIK3CA P42336 10/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
PIK3CD O00329 3/20 0.42
PIK3CB P42338 2/20 0.42
HTT P42858 2/20 0.38
ENPP1 P22413 2/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NR2F2 P24468 1/20 0.35
MAP4K4 O95819 1/20 0.34

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
SCHEMBL17203047 0.81 PIK3CG (0.47) PIK3CGPIK3CAPIK3CDPIK3CBHTT
SCHEMBL496868 0.78 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL27890062 0.78 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPIK3CD
SCHEMBL4420740 0.78 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPIK3CD
SCHEMBL24368224 0.77 PIK3CG (0.39) PIK3CGPIK3CAPIK3CDPIK3CBALDH1A1
SCHEMBL6589954 0.76 PDE4A (0.37) PIK3CGPIK3CAPDE4APDE4BPDE4C
SCHEMBL27797765 0.75 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPIK3CD
SCHEMBL13404526 0.75 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPIK3CD
SCHEMBL17652142 0.75 IRAK4 (0.50) PDE4APDE4BPDE4CPDE4DENPP1
SCHEMBL5766404 0.75 IRAK4 (0.50) PDE4APDE4BPDE4CPDE4DALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150329498-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2015-11-19 US disclosed
WO-2015164374-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2015-10-29 WO 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-20150329498-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 PIK3CG 444/4885PIK3CA 379/4885PDE4A 567/4885

“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.