SCHEMBL2870429

SCHEMBL2870429

Nc1c2c(=O)[nH]c3ccccc3c2nn1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ADORA3 P0DMS8 1/20 0.47
ADORA1 P30542 1/20 0.47
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GFER P55789 1/20 0.46
PARP1 P09874 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL2856015 0.86 PTGS2 (0.57) PTGS2NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL2859052 0.84 TDP2 (0.45) ADORA3ADORA1PARP1MAPK14
SCHEMBL2871307 0.84 PTGS2 (0.46) PTGS2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2861092 0.83 ADORA3 (0.53) PTGS2NPC1RAB9AADORA3PARP1
SCHEMBL2863178 0.82 ADORA3 (0.57) NPC1RAB9AADORA3ADORA1MAPT
SCHEMBL2878474 0.82 TDP2 (0.49) NPC1RAB9AADORA3ADORA1MEN1
SCHEMBL2864921 0.82 PTGS2 (0.48) PTGS2NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL2868721 0.81 ADORA3 (0.45) ADORA3ADORA1MAPK14
SCHEMBL2864776 0.81 TDP2 (0.45) ADORA3ADORA1MAPK14
SCHEMBL2862967 0.81 ADORA3 (0.58) SMN1; SMN2ADORA3ADORA1MAPTMEN1

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
US-7842701-B2 Pyrazoloquinolone derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 US disclosed
US-7842701-B2 Pyrazoloquinolone derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 US disclosed
EP-1719771-A1 PYRAZOLOQUINOLONE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-11-08 EP 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-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof MAP3K20, MAP4K5, MAP4K3 PTGS2 866/4885NPC1 4617/4885RAB9A 3594/4885

“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.