SCHEMBL4770673

SCHEMBL4770673

Cc1c([N+](=O)[O-])c(=O)n(C2CCC2)c(=O)n1C1CCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
HTT P42858 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.32
OGFOD1 Q8N543 1/20 0.30
EGLN2 Q96KS0 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL4771332 0.88 KDM4E (0.36) MAPK1MEN1MAPTKMT2AALDH1A1
SCHEMBL4767318 0.82 AR (0.34) ALDH1A1KDM4E
SCHEMBL4769303 0.81 KCNH2 (0.33) MAPK1NPSR1ALDH1A1CYP2C9CYP2C19
SCHEMBL4769060 0.76 DCTPP1 (0.42) MEN1KMT2ANPSR1ALDH1A1KDM4E
SCHEMBL4765601 0.75 PDE4A (0.40) MEN1KMT2ANPSR1ALDH1A1HTT
SCHEMBL4867634 0.72 PIK3CA (0.39) MAPK1PIK3CA
SCHEMBL17256522 0.70 SMURF1 (0.38) MAPK1NPSR1ALDH1A1SIRT2
SCHEMBL4480783 0.68 MAPT (0.43) MAPK1MEN1MAPTXBP1KMT2A
SCHEMBL7030999 0.66 MAPK1 (0.41) MAPK1MEN1MAPTXBP1KMT2A
SCHEMBL7019888 0.63 ADORA2A (0.39) GSK3AGSK3BPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
EP-1678181-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-07-12 EP disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US disclosed
WO-2005042534-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-05-12 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 (1 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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 MAPK1 4185/4885MEN1 4726/4885MAPT 4503/4885

“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.