SCHEMBL1701289

SCHEMBL1701289

O=[N+]([O-])c1ccc(Nc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.71
MAPT P10636 7/20 0.64
NPC1 O15118 6/20 0.64
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
RAB9A P51151 5/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
CSNK1D P48730 1/20 0.60
CSNK1G2 P78368 1/20 0.60
MMP2 P08253 1/20 0.59
MMP9 P14780 1/20 0.59
MMP8 P22894 1/20 0.59
MAPK1 P28482 2/20 0.59
GAA P10253 2/20 0.59
KDM4E B2RXH2 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
HTT P42858 2/20 0.56
GLA P06280 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 4/20 0.54

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
SCHEMBL30933737 0.83 NPC1 (0.72) MAPTNPC1MEN1KMT2ARAB9A
SCHEMBL32666088 0.82 KDM4E (0.63) RIPK1MAPTMEN1KMT2ARAB9A
SCHEMBL30020996 0.80 MEN1 (0.75) RIPK1MAPTNPC1MEN1KMT2A
SCHEMBL239690 0.80 MEN1 (0.75) RIPK1MAPTNPC1MEN1KMT2A
SCHEMBL16562030 0.79 NPC1 (1.00) MAPTNPC1MEN1KMT2ARAB9A
SCHEMBL5226878 0.79 RIPK1 (0.62) RIPK1MAPTNPC1MEN1KMT2A
SCHEMBL2891699 0.79 RIPK1 (0.62) RIPK1MAPTNPC1MEN1KMT2A
SCHEMBL2891701 0.79 RIPK1 (0.77) RIPK1MAPTNPC1MEN1KMT2A
SCHEMBL1996591 0.77 MEN1 (0.71) MAPTNPC1MEN1KMT2ARAB9A
SCHEMBL6037541 0.77 MEN1 (0.71) MAPTNPC1MEN1KMT2ARAB9A

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585462-B1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2020-02-26 EP disclosed
EP-2585462-B1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2020-02-26 EP disclosed
EP-3105210-B1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS Bayer Pharma AG (DE) 2019-01-30 EP disclosed
US-9226921-B2 Fused heterocyclic compounds as phosphodiesterases (PDES) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-05 US disclosed
US-9226921-B2 Fused heterocyclic compounds as phosphodiesterases (PDES) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-05 US disclosed
US-9226921-B2 Fused heterocyclic compounds as phosphodiesterases (PDES) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-05 US disclosed
US-8940758-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-27 US disclosed
US-8940758-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-27 US disclosed
US-8940758-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-27 US disclosed
US-8846713-B2 Fused heterocyclic compounds as phosphodiesterases (PDEs) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-30 US disclosed
US-8563575-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-22 US disclosed
US-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS CROSSWING INC. (CA) 2013-07-04 US disclosed
US-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS CROSSWING INC. (CA) 2013-07-04 US disclosed
US-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS CROSSWING INC. (CA) 2013-07-04 US disclosed
EP-2585462-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2013-05-01 EP disclosed
WO-2011163355-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 WO disclosed
WO-2011163355-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 WO disclosed
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 US disclosed
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 US disclosed
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 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-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A RIPK1 4025/4885MAPT 4278/4885NPC1 3083/4885
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A RIPK1 4594/4885MAPT 3886/4885NPC1 3970/4885

“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.