SCHEMBL5458262

SCHEMBL5458262

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.50
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
P2RX3 P56373 2/20 0.38
HDAC1 Q13547 1/20 0.38
PDE10A Q9Y233 1/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 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
SCHEMBL5445110 0.85 NUDT1 (0.51) NUDT1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL5450737 0.81 ALDH1A1 (0.47) NUDT1KDM4ESMN1; SMN2TSHRHSD17B10
SCHEMBL5457164 0.80 NUDT1 (0.46) NUDT1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL5452783 0.74 NUDT1 (0.51) NUDT1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL13828586 0.73 SMN1; SMN2 (0.42) NUDT1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL898825 0.72 POLB (0.47) KDM4EMEN1KMT2APOLBPIK3CA
SCHEMBL12462778 0.72 MTOR (0.56) KDM4ESMN1; SMN2POLBALDH1A1L3MBTL1
SCHEMBL19142137 0.71 NUDT1 (0.45) NUDT1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL5453324 0.71 KDM4E (0.52) NUDT1KDM4ESMN1; SMN2TSHRHSD17B10
SCHEMBL2153355 0.71 MTOR (0.58)

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 521/4885SMN1; SMN2 3928/4885

“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.