SCHEMBL4701994

SCHEMBL4701994

O=[N+]([O-])c1cnn2c(-c3ccc(C(F)(F)F)cc3)ccnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
GPR119 Q8TDV5 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
POLB P06746 2/20 0.39
BRAF P15056 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAP2K1 Q02750 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL4700538 0.86 KDM4E (0.63) KDM4EBRAF
SCHEMBL4702080 0.85 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL4701436 0.83 CLK4 (0.56) KDM4EALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL30931766 0.78 CLK4 (0.45) KDM4EALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL4699130 0.77 SMN1; SMN2 (0.50) KDM4EALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL4703702 0.73 L3MBTL1 (0.55) KDM4EALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL4699721 0.73 ALDH1A1 (0.47) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL4700445 0.72 KDM4E (0.48) KDM4EALDH1A1MAPTCLK4POLB
SCHEMBL2107736 0.72 L3MBTL1 (0.37) KDM4EALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL7791793 0.71 L3MBTL1 (0.54) KDM4EALDH1A1SMN1; SMN2POLBL3MBTL1

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 4 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

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 3514/4885ALDH1A1 113/4885SMN1; SMN2 1509/4885

“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.