SCHEMBL10270750

SCHEMBL10270750

Nc1nc(NCCNc2nc(-c3cccnc3)cc3nccn23)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.43
GSK3A P49840 4/20 0.43
CDK1 P06493 3/20 0.43
CCNB2 O95067 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
MAP4K2 Q12851 4/20 0.35
HRH4 Q9H3N8 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ADORA2A P29274 1/20 0.34
SYK P43405 3/20 0.34
PIM1 P11309 2/20 0.34
PIM3 Q86V86 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
CDC7 O00311 1/20 0.34
PLK4 O00444 1/20 0.34
DYRK3 O43781 1/20 0.34
ROCK2 O75116 1/20 0.34
PRKD3 O94806 1/20 0.34

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
SCHEMBL10270307 0.93 GSK3B (0.41) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL10270170 0.88 GSK3B (0.39) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL12680597 0.88 GSK3B (0.39) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL12680571 0.88 GSK3B (0.41) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL10270001 0.88 GSK3B (0.41) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL10269935 0.87 GSK3B (0.47) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL10269936 0.87 GSK3B (0.42) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL12680643 0.86 MAP4K2 (0.42) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL10270000 0.86 GSK3B (0.39) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL10270296 0.86 GSK3B (0.41) GSK3BGSK3ACDK1CCNB2CCNB1

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-9051323-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US disclosed
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
US-8273752-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-25 US disclosed
EP-2137188-B1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Pharma AG (DE) 2012-06-06 EP disclosed
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 US disclosed
WO-2008113469-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-25 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 (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-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES TYMP, DPYD, THPO GSK3B 3269/4885GSK3A 3185/4885CDK1 1050/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT GSK3B 3009/4885GSK3A 2953/4885CDK1 818/4885

“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.