SCHEMBL4699130

SCHEMBL4699130

O=[N+]([O-])c1cnn2c(-c3cccnc3)ccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HTR6 P50406 1/20 0.44
CLK4 Q9HAZ1 2/20 0.43
MAP2K1 Q02750 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.42
CYP2A6 P11509 2/20 0.42
POLB P06746 1/20 0.40
BRAF P15056 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TLR8 Q9NR97 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 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
SCHEMBL4701436 0.88 CLK4 (0.56) SMN1; SMN2MAPTKDM4EALDH1A1CLK4
SCHEMBL4702080 0.85 ALDH1A1 (0.52) SMN1; SMN2GAAMAPTKDM4EALDH1A1
SCHEMBL7361403 0.78 SMN1; SMN2 (0.52) SMN1; SMN2GAAMAPTKDM4EALDH1A1
SCHEMBL4700538 0.78 KDM4E (0.63) KDM4EBRAF
SCHEMBL30931766 0.78 CLK4 (0.45) SMN1; SMN2MAPTKDM4EALDH1A1CLK4
SCHEMBL4699721 0.77 ALDH1A1 (0.47) MAPTKDM4EALDH1A1CLK4MAP2K1
SCHEMBL4701994 0.77 KDM4E (0.45) SMN1; SMN2MAPTKDM4EALDH1A1CLK4
SCHEMBL4700445 0.76 KDM4E (0.48) MAPTKDM4EALDH1A1CLK4MAP2K1
SCHEMBL3162758 0.76 SMN1; SMN2 (0.56) SMN1; SMN2GAAMAPTKDM4EALDH1A1
SCHEMBL3160984 0.76 SMN1; SMN2 (0.56) SMN1; SMN2GAAMAPTKDM4EALDH1A1

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 SMN1; SMN2 1509/4885GAA 1908/4885MAPT 2772/4885

“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.