SCHEMBL6415738

SCHEMBL6415738

NN=C(c1ccc(O)cc1O)c1nc2nonc2nc1NCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.39
KDR P35968 3/20 0.39
TDP1 Q9NUW8 1/20 0.36
STAT6 P42226 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
IDO1 P14902 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL6415718 1.00 EGFR (0.39) EGFRKDRTDP1STAT6CYP1A2
SCHEMBL6414671 0.89 MEN1 (0.37) EGFRKDRSTAT6CYP1A2CYP3A4
SCHEMBL6414661 0.89 MEN1 (0.37) EGFRKDRSTAT6CYP1A2CYP3A4
SCHEMBL6416987 0.89 EGFR (0.39) EGFRCYP1A2CYP3A4CYP2D6MEN1
SCHEMBL6414153 0.85 STAT6 (0.38) EGFRKDRSTAT6CYP1A2CYP3A4
SCHEMBL6414138 0.85 STAT6 (0.38) EGFRKDRSTAT6CYP1A2CYP3A4
SCHEMBL6418374 0.84 EGFR (0.40) EGFRKDRCYP1A2CYP3A4IDO1
SCHEMBL6418383 0.84 EGFR (0.40) EGFRKDRCYP1A2CYP3A4IDO1
SCHEMBL6414910 0.84 CYP3A4 (0.38) TDP1STAT6CYP1A2CYP3A4CYP2D6
SCHEMBL6414923 0.84 CYP3A4 (0.38) TDP1STAT6CYP1A2CYP3A4CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143382-A1 Heterocyclic compounds as pharmaceutically active compounds 4SC AG (DE) 2005-06-30 US disclosed
WO-2005044270-A1 OXADIAZOLOPYRAZINE DERIVATIVES AS PHARMACEUTICALLY ACTIVE COMPOUNDS 4SC AG (DE) 2005-05-19 WO disclosed
EP-1529531-A1 Oxadiazolopyrazine derivatives as pharmaceutically active compounds 4SC AG (DE) 2005-05-11 EP 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-20050143382-A1 Heterocyclic compounds as pharmaceutically active compounds NR5A2, NR1H2, NR2C2 EGFR 1083/4885KDR 894/4885TDP1 4777/4885

“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.