SCHEMBL5342115

SCHEMBL5342115

Nc1ccc(Oc2ccc(N)c(N)c2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
POLB P06746 2/20 0.60
ALDH1A1 P00352 4/20 0.59
BRCA1 P38398 1/20 0.59
HBB P68871 1/20 0.59
HSD17B10 Q99714 1/20 0.59
RAB9A P51151 1/20 0.57
NR4A1 P22736 1/20 0.55
KEAP1 Q14145 1/20 0.44
MITF O75030 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NLRP1 Q9C000 1/20 0.37
NOD2 Q9HC29 1/20 0.37
THRB P10828 1/20 0.37
ALOX5AP P20292 2/20 0.36

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
SCHEMBL20931746 0.83 KDM4E (0.79) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL12594101 0.82 KDM4E (0.64) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL12594177 0.81 KDM4E (0.56) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL6506841 0.79 KDM4E (0.75) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL12594181 0.79 KDM4E (0.54) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL9923972 0.79 KDM4E (0.53) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL20931739 0.79 KDM4E (0.73) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL26151031 0.78 HSPB1 (0.65) MEN1KMT2AALDH1A1RAB9ANR4A1
SCHEMBL22548629 0.77 KDM4E (0.55) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL2721244 0.76 KDM4E (1.00) KDM4EMEN1KMT2APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-20040082583-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-04-29 US disclosed
EP-1341771-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2003-09-10 EP disclosed
WO-2002044156-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2002-06-06 WO 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 (2 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-20070249600-A1 CHEMICAL COMPOUNDS TIE1, KDR, FLT4 KDM4E 244/4885MEN1 760/4885KMT2A 165/4885
US-20040082583-A1 Chemical compounds TIE1, KDR, FLT4 KDM4E 244/4885MEN1 760/4885KMT2A 165/4885

“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.