SCHEMBL2616865

SCHEMBL2616865

O=C1Cc2cc([N+](=O)[O-])ccc2C(=O)N1P

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TLR9 Q9NR96 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
GAA P10253 1/20 0.45
PTPRC P08575 3/20 0.45
S100A4 P26447 2/20 0.45
PARP1 P09874 1/20 0.44
HSP90AA1 P07900 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADRA2A P08913 1/20 0.41
PNMT P11086 1/20 0.41
ACHE P22303 2/20 0.41
BCHE P06276 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL30049268 0.76 TLR9 (0.79) TDP2MEN1KMT2ATLR9LMNA
SCHEMBL987760 0.76 TLR9 (0.79) TDP2MEN1KMT2ATLR9LMNA
SCHEMBL2616871 0.76 TDP2 (0.46) TDP2MEN1KMT2ATLR9LMNA
SCHEMBL8207403 0.74 KMT2A (0.63) MEN1KMT2AMAPTRAB9AGAA
SCHEMBL1163008 0.72 CASP1 (0.49) TDP2MEN1KMT2ATLR9LMNA
SCHEMBL28241785 0.72 TDP2 (0.48) TDP2MEN1KMT2ATLR9LMNA
SCHEMBL21603408 0.71 LMNA (0.47) TDP2MEN1KMT2ATLR9LMNA
SCHEMBL2616866 0.71 CASP6 (0.35) MEN1KMT2ATLR9RAB9AGAA
SCHEMBL13495342 0.70 CASP1 (0.43) TDP2MEN1KMT2ATLR9LMNA
SCHEMBL1785799 0.70 TDP2 (0.56) TDP2MEN1KMT2ATLR9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2942349-A1 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2015-11-11 EP disclosed
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US 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-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK TDP2 793/4885MEN1 4760/4885KMT2A 1386/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 TDP2 380/4885MEN1 4190/4885KMT2A 1097/4885

“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.