SCHEMBL5457161

SCHEMBL5457161

CCc1c(NC2CCNCC2)nc(N2CCOCC2)nc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
FLT3 P36888 2/20 0.42
EHMT2 Q96KQ7 8/20 0.40
EHMT1 Q9H9B1 8/20 0.40
EML4 Q9HC35 1/20 0.39
ALK Q9UM73 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PIK3CB P42338 1/20 0.38
POLB P06746 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
KIT P10721 1/20 0.37
MAPK1 P28482 1/20 0.37
AXL P30530 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL5453324 0.81 KDM4E (0.52) KDM4EALDH1A1L3MBTL1POLBMAPK1
SCHEMBL5457164 0.79 NUDT1 (0.46) KDM4EALDH1A1L3MBTL1POLBMAPK1
SCHEMBL5445110 0.75 NUDT1 (0.51) KDM4EALDH1A1L3MBTL1POLBMAPK1
SCHEMBL5452783 0.75 NUDT1 (0.51) KDM4EALDH1A1L3MBTL1PIK3CBPOLB
SCHEMBL5450737 0.71 ALDH1A1 (0.47) KDM4EALDH1A1L3MBTL1POLBMAPK1
SCHEMBL5452827 0.71 NUDT1 (0.47) KDM4EALDH1A1L3MBTL1PIK3CBPOLB
SCHEMBL6304381 0.66 BAZ2A (0.39) KDM4EALDH1A1HTT
SCHEMBL28768632 0.66 MERTK (0.57) KDM4EFLT3ALDH1A1POLBAXL
SCHEMBL28465573 0.66 EHMT2 (0.41) EHMT2EHMT1L3MBTL1HTT
SCHEMBL27172361 0.65 MERTK (0.54) KDM4EALDH1A1POLBAXLTYRO3

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 KDM4E 521/4885FLT3 58/4885EHMT2 1820/4885

“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.