SCHEMBL6412931

SCHEMBL6412931

COC(=O)c1ccc(C(=NN)c2nc3nonc3nc2Nc2ccccc2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
MEN1 O00255 5/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 4/20 0.42
TP53 P04637 2/20 0.42
CDKN1A P38936 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
KDM4E B2RXH2 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CLK1 P49759 1/20 0.37
ALDH1A1 P00352 4/20 0.36
POLB P06746 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
AURKA O14965 1/20 0.35

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
SCHEMBL20570809 0.82 MAPT (0.60) KMT2ASMN1; SMN2MEN1HTTLMNA
SCHEMBL6412928 0.78 MAPT (0.46) KMT2ASMN1; SMN2MEN1HTTLMNA
SCHEMBL6412922 0.78 MAPT (0.46) KMT2ASMN1; SMN2MEN1HTTLMNA
SCHEMBL6414373 0.78 TTR (0.38) KMT2ASMN1; SMN2MEN1HTTLMNA
SCHEMBL6418358 0.73 LDHA (0.40) KMT2ASMN1; SMN2MEN1HTTLMNA
SCHEMBL6416293 0.72 ALDH1A1 (0.41) KMT2AMEN1MAPTTP53NPC1
SCHEMBL17240563 0.71 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2MEN1HTTLMNA
SCHEMBL29774507 0.71 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2MEN1HTTLMNA
SCHEMBL6418422 0.71 PIM1 (0.40) KMT2ASMN1; SMN2MEN1HTTLMNA
SCHEMBL21499964 0.70 KMT2A (0.46) KMT2ASMN1; SMN2MEN1HTTLMNA

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 3640/4885SMN1; SMN2 4369/4885MEN1 4392/4885

“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.