SCHEMBL2554438

SCHEMBL2554438

Nc1cc(Oc2ccc([N+](=O)[O-])c3[nH]ncc23)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.42
MAPT P10636 7/20 0.41
TDP1 Q9NUW8 4/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NOS1 P29475 3/20 0.39
THRB P10828 2/20 0.39
NOS3 P29474 2/20 0.39
NOS2 P35228 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
APEX1 P27695 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL29662541 0.80 MAPT (0.50) DYRK1AMAPTTDP1LMNASMN1; SMN2
SCHEMBL535504 0.80 MAPT (0.50) DYRK1AMAPTTDP1LMNASMN1; SMN2
SCHEMBL2578043 0.77 NPC1 (0.45) MAPTTDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL2473152 0.76 NOS3 (0.43) DYRK1AMAPTTDP1LMNASMN1; SMN2
SCHEMBL2551316 0.76 TDP1 (0.51) DYRK1AMAPTTDP1LMNASMN1; SMN2
SCHEMBL29788822 0.76 NOS3 (0.43) DYRK1AMAPTTDP1LMNASMN1; SMN2
SCHEMBL28758700 0.74 ALDH1A1 (0.55) DYRK1AMAPTTDP1SMN1; SMN2ALDH1A1
SCHEMBL28673208 0.72 MAPT (0.53) MAPTTDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL30293811 0.72 MAPT (0.53) MAPTTDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL11606284 0.71 MAPT (0.59) MAPTTDP1LMNASMN1; SMN2ALDH1A1

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 20 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-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 DYRK1A 2648/4885MAPT 2621/4885TDP1 2420/4885
US-10000471-B2 Pyrazole P38 map kinase inhibitors MAPK1, MAP3K1, MAPK3 DYRK1A 820/4885MAPT 1600/4885TDP1 940/4885
US-20160130256-A1 NOVEL COMPOUNDS ARG1, IL1B, LTB4R DYRK1A 2648/4885MAPT 2621/4885TDP1 2420/4885
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS MAPK1, MAP3K1, MAPK3 DYRK1A 875/4885MAPT 1747/4885TDP1 1005/4885

“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.