SCHEMBL6422145

SCHEMBL6422145

COc1ccc(O)c(C=NNc2nc3nonc3nc2N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.55
KMT2A Q03164 9/20 0.49
KDM4E B2RXH2 5/20 0.49
HTT P42858 5/20 0.49
POLB P06746 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
RECQL P46063 2/20 0.49
NPC1 O15118 2/20 0.49
PSMD14 O00487 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
MEN1 O00255 8/20 0.49
MAPT P10636 7/20 0.49
RAB9A P51151 4/20 0.49
LMNA P02545 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 4/20 0.45
PTGS2 P35354 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
SCHEMBL6422141 1.00 GAA (0.55) GAAKMT2AKDM4EHTTPOLB
SCHEMBL6436303 0.91 GAA (0.58) GAAKMT2AKDM4EHTTPOLB
SCHEMBL6436307 0.91 GAA (0.58) GAAKMT2AKDM4EHTTPOLB
SCHEMBL6439211 0.83 KMT2A (0.54) GAAKMT2AKDM4EHTTPOLB
SCHEMBL6436156 0.83 KMT2A (0.42) GAAKMT2AKDM4EHTTPOLB
SCHEMBL6436153 0.83 KMT2A (0.42) GAAKMT2AKDM4EHTTPOLB
SCHEMBL6431997 0.82 KMT2A (0.45) GAAKMT2AKDM4EHTTPOLB
SCHEMBL6432003 0.82 KMT2A (0.45) GAAKMT2AKDM4EHTTPOLB
SCHEMBL6433407 0.81 ADORA2A (0.51) GAAKMT2AKDM4EHTTPOLB
SCHEMBL6433398 0.81 ADORA2A (0.51) GAAKMT2AKDM4EHTTPOLB

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 2 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
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 GAA 3186/4885KMT2A 3640/4885KDM4E 3277/4885

“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.