SCHEMBL5455711

SCHEMBL5455711

Cc1nc(N2CCOCC2)nc(C(=O)O)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 6/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
PIK3CA P42336 3/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CB P42338 1/20 0.47
HTT P42858 2/20 0.45
HPGD P15428 1/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PIK3R1 P27986 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL5452783 0.80 NUDT1 (0.51) ALDH1A1KDM4EL3MBTL1MAPK1PIK3CA
SCHEMBL5452827 0.76 NUDT1 (0.47) ALDH1A1KDM4EL3MBTL1MAPK1PIK3CA
SCHEMBL27681040 0.73 ALDH1A1 (0.76) ALDH1A1KDM4EL3MBTL1MAPK1PIK3CA
SCHEMBL4262573 0.73 HTT (0.51) ALDH1A1KDM4EL3MBTL1MAPK1PIK3CA
SCHEMBL3094649 0.72 KDM4E (0.63) ALDH1A1KDM4EL3MBTL1MAPK1PIK3CA
SCHEMBL26337500 0.71 ALDH1A1 (0.59) ALDH1A1KDM4EL3MBTL1MAPK1PIK3CA
SCHEMBL5445110 0.71 NUDT1 (0.51) ALDH1A1KDM4EL3MBTL1MAPK1PIK3CA
SCHEMBL17501810 0.71 KDM4E (0.71) ALDH1A1KDM4EL3MBTL1MAPK1PIK3CA
SCHEMBL1013949 0.71 POLB (0.59) ALDH1A1KDM4EL3MBTL1MAPK1PIK3CA
SCHEMBL15733255 0.70 KDM4E (0.47) ALDH1A1KDM4EL3MBTL1MAPK1PIK3CA

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 ALDH1A1 309/4885KDM4E 521/4885L3MBTL1 4215/4885

“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.