SCHEMBL2076334

SCHEMBL2076334

Cn1nc([N+](=O)[O-])c2c(Cl)ncnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
LMNA P02545 4/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 3/20 0.36
ATM Q13315 2/20 0.36
ALDH1A1 P00352 4/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
NLRP1 Q9C000 1/20 0.34
NOTUM Q6P988 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
NR2F2 P24468 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CCR4 P51679 2/20 0.32
PABPC1 P11940 1/20 0.32
MAPK1 P28482 1/20 0.32
PIK3CD O00329 1/20 0.32
ABL1 P00519 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
SCHEMBL14365198 0.78 NOTUM (0.34) KDM4ELMNAMAPTHTTATM
SCHEMBL23580391 0.76 NR3C1 (0.38) NOTUMKMT2AMEN1NR2F2CCR4
SCHEMBL11717995 0.74 PIK3CD (0.36) KDM4ELMNAMAPTHTTALDH1A1
SCHEMBL1923871 0.73 NOTUM (0.48) KDM4ELMNAMAPTALDH1A1NOTUM
SCHEMBL14243160 0.71 CHEK1 (0.37) NOTUMKMT2AMEN1NR2F2CCR4
SCHEMBL12845037 0.71 NOTUM (0.35) NOTUMKMT2AMEN1NR2F2CCR4
SCHEMBL2078062 0.71 ALDH1A1 (0.43) KDM4ELMNAMAPTHTTATM
SCHEMBL1923920 0.69 PDE2A (0.37) NOTUMKMT2AMEN1NR2F2CCR4
SCHEMBL28848233 0.64 ALDH1A1 (0.43) KDM4ELMNAMAPTHTTATM
SCHEMBL304909 0.63 CA1 (0.49) KDM4ELMNAMAPTHTTALDH1A1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024360-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON INC (US) 2013-04-03 EP disclosed
EP-2024360-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON INC (US) 2013-04-03 EP disclosed
US-8354414-B2 Substituted bicyclic pyrimidines CEPHALON, INC (US) 2013-01-15 US disclosed
US-8354414-B2 Substituted bicyclic pyrimidines CEPHALON, INC (US) 2013-01-15 US disclosed
US-8354414-B2 Substituted bicyclic pyrimidines CEPHALON, INC (US) 2013-01-15 US disclosed
EP-2351751-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2011-08-03 EP disclosed
EP-2351751-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2011-08-03 EP disclosed
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES CEPHALON, INC. (US) 2011-03-03 US disclosed
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES CEPHALON, INC. (US) 2011-03-03 US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US disclosed
EP-2024360-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES Cephalon, Inc. (US) 2009-02-18 EP disclosed
WO-2008063232-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON, INC. (US) 2008-05-29 WO disclosed
WO-2008063232-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON, INC. (US) 2008-05-29 WO disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 US disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 US disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 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-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES DPYD, P2RX5, P2RX7 KDM4E 3148/4885LMNA 2594/4885MAPT 620/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 KDM4E 2794/4885LMNA 3545/4885MAPT 491/4885

“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.