SCHEMBL2549702

SCHEMBL2549702

Nc1nccc(Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 1/20 0.45
TTR P02766 1/20 0.45
ALB P02768 1/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 1/20 0.45
ROCK1 Q13464 2/20 0.39
CLK1 P49759 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
MET P08581 3/20 0.39
PIN1 Q13526 3/20 0.38
MAPT P10636 1/20 0.38
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
PDE7A Q13946 1/20 0.36
DHFR P00374 1/20 0.36
HTT P42858 1/20 0.36
NUDT1 P36639 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
SCHEMBL2551316 0.76 TDP1 (0.51) TDP1MEN1TTRALBTHRB
SCHEMBL2549682 0.76 TDP1 (0.45) TDP1MEN1TTRALBTHRB
SCHEMBL2571566 0.76 MEN1 (0.40) TDP1MEN1KMT2AMETMAPT
SCHEMBL4936375 0.71 ROCK1 (0.54) ROCK1CLK1MAPTHTTGAA
SCHEMBL16311125 0.70 TDP1 (0.40) TDP1MEN1KMT2AROCK1CLK1
SCHEMBL21681366 0.69 TDP1 (0.41) TDP1MEN1TTRALBTHRB
SCHEMBL2550803 0.69 NPC1 (0.42) TDP1MEN1TTRALBTHRB
SCHEMBL11212136 0.69 NUDT1 (0.57) ROCK1ALOX5APFEN1NUDT1
SCHEMBL15518138 0.68 ALDH1A1 (0.58) TDP1MEN1THRBKMT2APIN1
SCHEMBL30623820 0.68 MEN1 (0.75) TDP1MEN1TTRALBTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000471-B2 Pyrazole P38 map kinase inhibitors RESPIVERT LIMITED (GB) 2018-06-19 US disclosed
US-10000471-B2 Pyrazole P38 map kinase inhibitors RESPIVERT LIMITED (GB) 2018-06-19 US disclosed
US-10000471-B2 Pyrazole P38 map kinase inhibitors RESPIVERT LIMITED (GB) 2018-06-19 US disclosed
US-20170362208-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2017-12-21 US disclosed
US-20170362208-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2017-12-21 US disclosed
US-20170362208-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2017-12-21 US disclosed
US-9771354-B2 Pyrazole p38 map kinase inhibitors RESPIVERT LTD. (GB) 2017-09-26 US disclosed
US-9771354-B2 Pyrazole p38 map kinase inhibitors RESPIVERT LTD. (GB) 2017-09-26 US disclosed
US-9771354-B2 Pyrazole p38 map kinase inhibitors RESPIVERT LTD. (GB) 2017-09-26 US disclosed
US-20160130256-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2016-05-12 US disclosed
US-20160130256-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2016-05-12 US disclosed
US-20160130256-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2016-05-12 US disclosed
EP-2556065-B1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2014-12-17 EP disclosed
EP-2556065-A1 PYRAZOLE P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2013-02-13 EP disclosed
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2013-01-31 US disclosed
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2013-01-31 US disclosed
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2013-01-31 US disclosed
WO-2011121366-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2011-10-06 WO disclosed
WO-2011121366-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2011-10-06 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 (4 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-20170362208-A1 NOVEL COMPOUNDS ARG1, IL1B, LTB4R TDP1 2420/4885MEN1 3387/4885TTR 2615/4885
US-10000471-B2 Pyrazole P38 map kinase inhibitors MAPK1, MAP3K1, MAPK3 TDP1 940/4885MEN1 4419/4885TTR 4135/4885
US-20160130256-A1 NOVEL COMPOUNDS ARG1, IL1B, LTB4R TDP1 2420/4885MEN1 3387/4885TTR 2615/4885
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS MAPK1, MAP3K1, MAPK3 TDP1 1005/4885MEN1 4479/4885TTR 4075/4885

“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.