SCHEMBL6436752

SCHEMBL6436752

COc1ccccc1Nc1nc2nonc2nc1NN=Cc1cc(I)cc(I)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.44
MEN1 O00255 7/20 0.44
POLB P06746 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 8/20 0.39
KDM4E B2RXH2 7/20 0.39
HTT P42858 5/20 0.39
ALPL P05186 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
BIRC5 O15392 1/20 0.38
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 4/20 0.38
LMNA P02545 1/20 0.38
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
RECQL P46063 1/20 0.38
TNNC1 P63316 1/20 0.38
GAA P10253 6/20 0.37

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
SCHEMBL8266101 1.00 KMT2A (0.44) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL13310246 0.80 KMT2A (0.49) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL6415071 0.78 MAPT (0.35) KMT2AMEN1POLBMAPTBIRC5
SCHEMBL6415067 0.78 MAPT (0.35) KMT2AMEN1POLBMAPTBIRC5
SCHEMBL13905878 0.76 BIRC5 (0.52) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL6436750 0.76 KMT2A (0.43) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL6436759 0.76 KMT2A (0.43) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL13310239 0.76 KMT2A (0.47) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL6419561 0.75 MAPT (0.53) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL20569973 0.75 ALDH1A1 (0.69) KMT2AMEN1POLBALDH1A1MAPT

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 KMT2A 3640/4885MEN1 4392/4885POLB 3589/4885

“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.