SCHEMBL4702945

SCHEMBL4702945

CCCN(c1cccc(-c2ccnc3c([N+](=O)[O-])cnn23)c1)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
MAPK1 P28482 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
AOX1 Q06278 1/20 0.40
PDE3A Q14432 1/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ESR1 P03372 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK13 O15264 2/20 0.37
PIM1 P11309 2/20 0.37
OXTR P30559 2/20 0.37
DAPK3 O43293 1/20 0.36
AKT1 P31749 1/20 0.36
MAPK9 P45984 1/20 0.36

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
SCHEMBL4702688 0.95 KDM4E (0.39) KDM4EGABRA1GABRG2GABRB3MAPK1
SCHEMBL4702723 0.93 ALDH1A1 (0.47) KDM4EGABRA1GABRG2GABRB3MAPK1
SCHEMBL4701061 0.92 KDM4E (0.42) KDM4EGABRA1GABRG2GABRB3MAPK1
SCHEMBL4701084 0.87 POLB (0.44) KDM4EGABRA1GABRG2GABRB3MAPK1
SCHEMBL4699735 0.87 KDM4E (0.45) KDM4EGABRA1GABRG2GABRB3MAPK1
SCHEMBL4702947 0.87 ESR1 (0.43) KDM4EGABRA1GABRG2GABRB3MAPK1
SCHEMBL4699674 0.86 KDM4E (0.44) KDM4EGABRA1GABRG2GABRB3MAPK1
SCHEMBL4703160 0.85 MAPK1 (0.45) KDM4EGABRA1GABRG2GABRB3MAPK1
SCHEMBL4704778 0.84 KDM4E (0.43) KDM4EGABRA1GABRG2GABRB3MAPK1
SCHEMBL4700602 0.82 KDM4E (0.48) KDM4EGABRA1GABRG2GABRB3MAPK1

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
EP-1648896-B1 7-SUBSTITUTED 3-NITRO-PYRAZOLO [1,5-A] PYRIMIDINES FERRER INT (ES) 2008-02-13 EP claimed
US-20070043064-A1 7-Substituted 3-nitro-pyrazo[1,5-a] pyrimidines FERRER INTERNACIONAL S.A. (ES) 2007-02-22 US claimed
EP-1648896-B1 7-SUBSTITUTED 3-NITRO-PYRAZOLO [1,5-A] PYRIMIDINES FERRER INT (ES) 2008-02-13 EP disclosed
US-20070043064-A1 7-Substituted 3-nitro-pyrazo[1,5-a] pyrimidines FERRER INTERNACIONAL S.A. (ES) 2007-02-22 US disclosed
EP-1648896-A1 7-SUBSTITUTED 3-NITRO-PYRAZOLO [1,5-A] PYRIMIDINES FERRER INTERNACIONAL, S.A. (ES) 2006-04-26 EP disclosed
WO-2005014596-A1 7-SUBSTITUTED 3-NITRO-PYRAZOLO `1,5-A! PYRIMIDINES FERRER INTERNACIONAL, S.A. (ES) 2005-02-17 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-20070043064-A1 7-Substituted 3-nitro-pyrazo[1,5-a] pyrimidines GABRB1, GABRA1, GABRB2 KDM4E 3514/4885GABRA1 2/4885GABRG2 15/4885

“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.