SCHEMBL3603974

SCHEMBL3603974

Nc1cc(CCNc2nc(-c3ccc(Cl)cc3Cl)cc3ncnn23)c([N+](=O)[O-])c(N)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
GSK3B P49841 5/20 0.34
GSK3A P49840 3/20 0.34
CDK1 P06493 2/20 0.34
CCNB2 O95067 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
MAPT P10636 2/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
NPC1 O15118 1/20 0.33
DPP4 P27487 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL3607009 0.85 GSK3B (0.37) EGLN2TP53HPGDPIK3CAPIK3CB
SCHEMBL3598017 0.85 MAPT (0.31) MAPTRECQLBLMCDK5CDK5R1
SCHEMBL3606332 0.82 TP53 (0.38) TP53HPGDPIK3CAPIK3CBPIK3CG
SCHEMBL10270747 0.81 GSK3B (0.53) EGLN2PIK3CAPIK3CBPIK3CGGSK3B
SCHEMBL3606285 0.81 GSK3B (0.36) EGLN2TP53HPGDPIK3CAPIK3CB
SCHEMBL3609342 0.81 NPC1 (0.31) MAPTCDK5CDK5R1NPC1HTT
Trifluoroacetic Acid SCHEMBL3610303 0.76 TP53 (0.34) TP53HPGDGSK3BMAPTRECQL
SCHEMBL14079331 0.75 GSK3B (0.44) EGLN2GSK3BMAPTNPC1DPP4
SCHEMBL5076233 0.74 GSK3B (0.43) TP53HPGDPIK3CAPIK3CBPIK3CG
SCHEMBL3603972 0.74 EGLN2 (0.32) EGLN2PIK3CAPIK3CBPIK3CG

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 7 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
EP-2137188-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-12-30 EP 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 EGLN2 1710/4885TP53 205/4885HPGD 533/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT EGLN2 2683/4885TP53 275/4885HPGD 907/4885

“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.