SCHEMBL5452783

SCHEMBL5452783

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.51
KDM4E B2RXH2 9/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.47
ALDH1A1 P00352 6/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 3/20 0.46
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
LMNA P02545 1/20 0.43
POLB P06746 4/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL5452827 0.95 NUDT1 (0.47) NUDT1KDM4EMEN1KMT2AHSD17B10
SCHEMBL5445110 0.86 NUDT1 (0.51) NUDT1KDM4EMEN1KMT2AHSD17B10
SCHEMBL5450960 0.84 HRH4 (0.42) KDM4EHTTALDH1A1POLBSMN1; SMN2
SCHEMBL5453324 0.83 KDM4E (0.52) NUDT1KDM4EHSD17B10TSHRHTT
SCHEMBL5462475 0.82 KDM4E (0.40) KDM4EHSD17B10TSHRALDH1A1LMNA
SCHEMBL5450737 0.82 ALDH1A1 (0.47) NUDT1KDM4EHSD17B10TSHRHTT
SCHEMBL5457164 0.81 NUDT1 (0.46) NUDT1KDM4EMEN1KMT2AHSD17B10
SCHEMBL5455711 0.80 ALDH1A1 (0.48) KDM4EMEN1KMT2ATSHRHTT
SCHEMBL5444088 0.77 CRHR1 (0.37) MEN1KMT2ATSHRALDH1A1POLB
SCHEMBL5455961 0.77 P2RY12 (0.37) KDM4EMEN1KMT2AHSD17B10TSHR

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 521/4885MEN1 486/4885

“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.