SCHEMBL4669978

SCHEMBL4669978

NCCNc1ccc([N+](=O)[O-])c(N)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
CYP2D6 P10635 1/20 0.44
GSK3B P49841 4/20 0.43
GSK3A P49840 3/20 0.43
CDK1 P06493 2/20 0.43
CCNB2 O95067 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
HTR6 P50406 1/20 0.42
KDM4E B2RXH2 1/20 0.41
KAT2B Q92831 5/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
DHFR P00374 1/20 0.38

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
SCHEMBL8040592 0.91 KAT2B (0.52) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL27611246 0.86 GSK3B (0.42) MAPTGSK3BGSK3ACDK1CCNB2
SCHEMBL8099294 0.86 GSK3B (0.44) MAPTCYP2D6GSK3BGSK3ACDK1
SCHEMBL3603901 0.86 MAPT (0.45) MAPTGSK3BGSK3ACDK1CCNB2
SCHEMBL6069366 0.85 GSK3B (0.46) MAPTCYP2D6GSK3BGSK3ACDK1
SCHEMBL10270164 0.83 PGK1 (0.42) MAPTGSK3BGSK3ACDK1CCNB2
SCHEMBL4400500 0.83 GSK3B (0.39) MAPTGSK3BGSK3ACDK1CCNB2
SCHEMBL15972357 0.82 HRH3 (0.50) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5091591 0.81 GSK3B (0.40) MAPTGSK3BGSK3ACDK1CCNB2
SCHEMBL3612966 0.81 POLB (0.43) MAPTGSK3BGSK3ACDK1CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
US-9051323-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US disclosed
US-9051323-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
EP-1237880-A2 PYRAZINE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-09-11 EP disclosed
WO-2001044206-A9 PYRAZINE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2002-05-23 WO disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
US-20010044436-A1 Bicyclic inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2001-11-22 US disclosed
US-20010034051-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2001-10-25 US disclosed
CN-1312807-A Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2001-09-12 CN disclosed
WO-2001044246-A1 BICYCLIC INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2001-06-21 WO disclosed
WO-2001044206-A1 PYRAZINE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2001-06-21 WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 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 (7 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-20010034051-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, GSKIP MAPT 190/4885CYP2D6 3457/4885GSK3B 1/4885
US-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK MAPT 470/4885CYP2D6 3687/4885GSK3B 148/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK MAPT 501/4885CYP2D6 2362/4885GSK3B 174/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK MAPT 470/4885CYP2D6 3687/4885GSK3B 148/4885
US-20010044436-A1 Bicyclic inhibitors of glycogen synthase kinase 3 GSK3A, GSK3B, GSKIP MAPT 223/4885CYP2D6 3536/4885GSK3B 2/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK MAPT 438/4885CYP2D6 3642/4885GSK3B 146/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK MAPT 438/4885CYP2D6 3642/4885GSK3B 146/4885

“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.