SCHEMBL4888975

SCHEMBL4888975

Nc1ncc(C=O)c(C(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
PIK3CA P42336 5/20 0.38
PIK3CB P42338 4/20 0.38
MTOR P42345 4/20 0.38
PIK3CD O00329 1/20 0.38
PIK3C2B O00750 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CG P48736 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
NFKB1 P19838 4/20 0.34
ATF1 P18846 3/20 0.34
JUN P05412 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
XPO1 O14980 2/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
ULK1 O75385 1/20 0.31

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
SCHEMBL29150630 0.78 NFKB1 (0.33) KDM4ENFKB1ATF1JUNNFKB2
SCHEMBL27637075 0.78 NFKB1 (0.50) NFKB1ATF1JUNNFKB2RELA
SCHEMBL4716502 0.74
SCHEMBL3395853 0.74 CYP1A2 (0.40) KDM4EPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL14320248 0.72 RXFP1 (0.39) KDM4EPIK3CAMTORPIK3R1
SCHEMBL27886744 0.72 BACE1 (0.44) KDM4EALOX5APFEN1
SCHEMBL335775 0.71 KDM4E (0.44) KDM4EPIK3CAPIK3CBMTORPIK3CD
SCHEMBL30107632 0.71 KDM4E (0.44) KDM4EPIK3CAPIK3CBMTORPIK3CD
SCHEMBL10196960 0.71 KDM4E (0.44) KDM4EPIK3CAPIK3CBMTORPIK3CD
SCHEMBL6936291 0.71 KDM4E (0.55) KDM4EPIK3CAPIK3CBMTORPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-10-23 US disclosed
US-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-10-23 US disclosed
US-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-10-23 US disclosed
EP-1718620-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-11-08 EP disclosed
WO-2005080350-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-09-01 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-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators CNR2, CNR1, P2RY2 KDM4E 2470/4885PIK3CA 333/4885PIK3CB 297/4885

“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.