SCHEMBL2616914

SCHEMBL2616914

O=C1Cc2ccc([N+](=O)[O-])cc2CC(=O)N1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 6/20 0.73
PGR P06401 2/20 0.52
PNMT P11086 5/20 0.50
ADRA2A P08913 3/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
TLR9 Q9NR96 1/20 0.50
CYP3A4 P08684 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
PARP1 P09874 1/20 0.46
CAPN9 O14815 1/20 0.44
CASP3 P42574 1/20 0.44
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA3 P42263 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
SCHEMBL3563285 0.85 TDP2 (1.00) TDP2PGRMEN1LMNAMAPT
SCHEMBL19954 0.84 PGR (0.71) TDP2PGRMEN1LMNAKMT2A
SCHEMBL2993057 0.84 TDP2 (0.67) TDP2PGRPNMTADRA2AMEN1
SCHEMBL1785799 0.83 TDP2 (0.56) TDP2PNMTADRA2AMEN1LMNA
SCHEMBL2081772 0.83 TDP2 (0.60) TDP2PNMTADRA2AMEN1LMNA
SCHEMBL30839537 0.83 TDP2 (0.60) TDP2PNMTADRA2AMEN1MAPT
SCHEMBL21247680 0.83 TDP2 (0.60) TDP2PNMTADRA2AMEN1MAPT
Ammonia Solution, Strong SCHEMBL27905491 0.83 LMNA (0.62) TDP2PGRPNMTADRA2AMEN1
SCHEMBL1122774 0.81 TDP2 (0.82) TDP2PGRMEN1KMT2ACYP3A4
SCHEMBL2060888 0.80 PNMT (0.60) TDP2PGRPNMTADRA2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 793/4885PGR 1529/4885PNMT 998/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 TDP2 380/4885PGR 1863/4885PNMT 1190/4885

“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.