SCHEMBL4702115

SCHEMBL4702115

CCCCN(c1cccc(-c2ccnc3c([N+](=O)[O-])cnn23)c1)S(=O)(=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
MAPK1 P28482 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
AOX1 Q06278 1/20 0.42
PDE3A Q14432 1/20 0.42
TLR8 Q9NR97 1/20 0.36
BRAF P15056 11/20 0.33
MAPK13 O15264 1/20 0.33
LIMK1 P53667 1/20 0.33
MARK2 Q7KZI7 1/20 0.33
ALDH1A1 P00352 1/20 0.32
RAF1 P04049 1/20 0.32
MAPK14 Q16539 1/20 0.32
VCAM1 P19320 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
SCHEMBL4704778 0.95 KDM4E (0.43) KDM4EGABRA1GABRG2GABRB3MAPK1
SCHEMBL4699778 0.92 KDM4E (0.47) KDM4EGABRA1GABRG2GABRB3MAPK1
SCHEMBL4699723 0.91 KDM4E (0.44) KDM4EGABRA1GABRG2GABRB3MAPK1
SCHEMBL4700708 0.90 KDM4E (0.43) KDM4EGABRA1GABRG2GABRB3MAPK1
SCHEMBL4702947 0.87 ESR1 (0.43) KDM4EGABRA1GABRG2GABRB3MAPK1
SCHEMBL4699735 0.86 KDM4E (0.45) KDM4EGABRA1GABRG2GABRB3MAPK1
SCHEMBL4699674 0.85 KDM4E (0.44) KDM4EGABRA1GABRG2GABRB3MAPK1
SCHEMBL4701446 0.85 KDM4E (0.42) KDM4EGABRA1GABRG2GABRB3MAPK1
SCHEMBL4700602 0.85 KDM4E (0.48) KDM4EGABRA1GABRG2GABRB3MAPK1
SCHEMBL1884350 0.84 KDM4E (0.60) 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 12 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-A1 7-SUBSTITUTED 3-NITRO-PYRAZOLO [1,5-A] PYRIMIDINES FERRER INTERNACIONAL, S.A. (ES) 2006-04-26 EP claimed
EP-1622893-A1 NEW ALICYCLIC-AMINE-SUBSTITUTED 4-CARBOXAMIDO-BENZIMIDAZOLES AS PARP-INHIBITORS AND ANTIOXIDANTS Hideg, Kalman (HU) 2006-02-08 EP claimed
WO-2005014596-A1 7-SUBSTITUTED 3-NITRO-PYRAZOLO `1,5-A! PYRIMIDINES FERRER INTERNACIONAL, S.A. (ES) 2005-02-17 WO claimed
WO-2004096793-A1 NEW ALICYCLIC-AMINE-SUBSTITUTED 4-CARBOXAMIDO-BENZIMIDAZOLES AS PARP-INHIBITORS AND ANTIOXIDANTS HIDEG KALMAN (HU) 2004-11-11 WO 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
EP-1622893-A1 NEW ALICYCLIC-AMINE-SUBSTITUTED 4-CARBOXAMIDO-BENZIMIDAZOLES AS PARP-INHIBITORS AND ANTIOXIDANTS Hideg, Kalman (HU) 2006-02-08 EP disclosed
WO-2005014596-A1 7-SUBSTITUTED 3-NITRO-PYRAZOLO `1,5-A! PYRIMIDINES FERRER INTERNACIONAL, S.A. (ES) 2005-02-17 WO disclosed
WO-2004096793-A1 NEW ALICYCLIC-AMINE-SUBSTITUTED 4-CARBOXAMIDO-BENZIMIDAZOLES AS PARP-INHIBITORS AND ANTIOXIDANTS HIDEG KALMAN (HU) 2004-11-11 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.