SCHEMBL5445110

SCHEMBL5445110

CCc1c(C(=O)O)nc(N2CCOCC2)nc1N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.51
KDM4E B2RXH2 6/20 0.49
PIK3R1 P27986 3/20 0.47
PIK3CA P42336 3/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 6/20 0.46
MAPK1 P28482 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL5450737 0.95 ALDH1A1 (0.47) NUDT1KDM4EPIK3R1PIK3CAHTT
SCHEMBL5457164 0.94 NUDT1 (0.46) NUDT1KDM4EPIK3R1PIK3CAHTT
SCHEMBL5452783 0.86 NUDT1 (0.51) NUDT1KDM4EPIK3CAHTTALDH1A1
SCHEMBL5458262 0.85 NUDT1 (0.50) NUDT1KDM4EPIK3R1PIK3CAHTT
SCHEMBL5453324 0.83 KDM4E (0.52) NUDT1KDM4EPIK3CAHTTALDH1A1
SCHEMBL5452827 0.82 NUDT1 (0.47) NUDT1KDM4EPIK3CAHTTALDH1A1
SCHEMBL5457161 0.75 KDM4E (0.42) KDM4EHTTALDH1A1MAPK1L3MBTL1
SCHEMBL898825 0.73 POLB (0.47) KDM4EPIK3R1PIK3CAHTTALDH1A1
SCHEMBL2344594 0.72 POLB (0.46) KDM4EPIK3R1PIK3CAHTTALDH1A1
SCHEMBL5455711 0.71 ALDH1A1 (0.48) KDM4EPIK3R1PIK3CAHTTALDH1A1

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 NUDT1 779/4885KDM4E 521/4885PIK3R1 857/4885

“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.