SCHEMBL4701436

SCHEMBL4701436

O=[N+]([O-])c1cnn2c(-c3ccccc3)ccnc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.56
MAP2K1 Q02750 1/20 0.56
DYRK1B Q9Y463 1/20 0.56
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PIM1 P11309 6/20 0.45
LIMK1 P53667 2/20 0.45
MAPK9 P45984 2/20 0.45
DYRK1A Q13627 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
GSK3A P49840 4/20 0.44
MAPK13 O15264 3/20 0.44
MARK2 Q7KZI7 2/20 0.44
AKT1 P31749 2/20 0.44
PIM3 Q86V86 2/20 0.44
PDPK1 O15530 1/20 0.44
PRKCZ Q05513 1/20 0.44

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
SCHEMBL30931766 0.89 CLK4 (0.45) CLK4MAP2K1DYRK1BKDM4EALDH1A1
SCHEMBL4702080 0.89 ALDH1A1 (0.52) CLK4MAP2K1DYRK1BKDM4EALDH1A1
SCHEMBL4699130 0.88 SMN1; SMN2 (0.50) CLK4MAP2K1DYRK1BKDM4EALDH1A1
SCHEMBL4699721 0.83 ALDH1A1 (0.47) CLK4MAP2K1DYRK1BKDM4EALDH1A1
SCHEMBL4701994 0.83 KDM4E (0.45) CLK4MAP2K1DYRK1BKDM4EALDH1A1
SCHEMBL4700538 0.81 KDM4E (0.63) KDM4E
SCHEMBL4699164 0.80 KDM4E (0.41) CLK4MAP2K1DYRK1BKDM4EALDH1A1
SCHEMBL4700445 0.80 KDM4E (0.48) CLK4MAP2K1DYRK1BKDM4EALDH1A1
SCHEMBL4703702 0.79 L3MBTL1 (0.55) CLK4MAP2K1DYRK1BKDM4EALDH1A1
SCHEMBL4703700 0.78 KDM4E (0.43) CLK4MAP2K1DYRK1BKDM4EALDH1A1

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 CLK4 4749/4885MAP2K1 4669/4885DYRK1B 4141/4885

“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.