SCHEMBL5455199

SCHEMBL5455199

COC(=O)c1cnc(N2CCOCC2)nc1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.63
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.57
PKM P14618 1/20 0.57
ATF1 P18846 1/20 0.47
NFKB1 P19838 1/20 0.47
NR1H2 P55055 4/20 0.47
NR1H3 Q13133 3/20 0.47
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
HSD11B1 P28845 1/20 0.46
PTPN11 Q06124 1/20 0.46
PIK3CB P42338 1/20 0.45
MAPT P10636 1/20 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
PDE3B Q13370 1/20 0.44

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
SCHEMBL1014805 0.82 ALDH1A1 (0.55) KDM4EALDH1A1HSD11B1PTPN11PIK3CB
SCHEMBL6925687 0.80 HCRTR1 (0.56) CNR2KDM4EALDH1A1LMNAPKM
SCHEMBL1837114 0.80 KDM4E (0.53) CNR2KDM4EALDH1A1LMNAPKM
SCHEMBL12796003 0.78 ALDH1A1 (0.58) CNR2KDM4EALDH1A1LMNAPKM
SCHEMBL1014459 0.76 HSD11B1 (0.58) KDM4EALDH1A1HSD11B1PTPN11PIK3CB
SCHEMBL1015481 0.76 HSD11B1 (0.58) KDM4EALDH1A1HSD11B1PTPN11PIK3CB
SCHEMBL1012134 0.76 KDM4E (0.58) CNR2KDM4EALDH1A1LMNAPKM
SCHEMBL10327933 0.76 PIK3CA (0.56) PTPN11PIK3CBPIK3R1PIK3CAMTOR
SCHEMBL19145299 0.76 KDM4E (0.51) CNR2KDM4EALDH1A1PIK3CBPIK3R1
SCHEMBL12795989 0.76 KDM4E (0.54) CNR2KDM4EALDH1A1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259849-A1 Azine-Carboxamides as Anti-Cancer Agents ASTRAZENECA AB (SE) 2007-11-08 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-20070259849-A1 Azine-Carboxamides as Anti-Cancer Agents ARAF, BRAF, RAF1 CNR2 991/4885KDM4E 521/4885ALDH1A1 309/4885

“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.