SCHEMBL2856015

SCHEMBL2856015

Nc1c2c(=O)[nH]c3cc([N+](=O)[O-])ccc3c2nn1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.57
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
PARP1 P09874 2/20 0.47
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MPI P34949 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
TDP2 O95551 1/20 0.46
ABL1 P00519 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
LYN P07948 1/20 0.46
SRC P12931 1/20 0.46
MAPK14 Q16539 1/20 0.46
POLB P06746 1/20 0.44
MAPT P10636 2/20 0.44
GPR35 Q9HC97 1/20 0.44
SMN1; SMN2 Q16637 4/20 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
SCHEMBL2871307 0.89 PTGS2 (0.46) PTGS2CA9CA12PARP1ALDH1A1
SCHEMBL2864921 0.87 PTGS2 (0.48) PTGS2CA9CA12PARP1ALDH1A1
SCHEMBL2870429 0.86 PTGS2 (0.51) PTGS2PARP1MEN1KMT2AMAPK14
SCHEMBL2867582 0.84 TDP2 (0.52) PTGS2CA9PARP1ALDH1A1MEN1
SCHEMBL2868597 0.82 TDP2 (0.56) PTGS2ALDH1A1MEN1KMT2ATDP2
SCHEMBL2861092 0.81 ADORA3 (0.53) PTGS2CA9CA12PARP1MEN1
SCHEMBL14375248 0.77 CA9 (0.53) PTGS2CA9CA12ALDH1A1MEN1
SCHEMBL2861961 0.77 CTSV (0.42) PTGS2PARP1ALDH1A1MEN1KMT2A
SCHEMBL2868711 0.74 TDP2 (0.47) MEN1KMT2ATDP2ABL1LCK
SCHEMBL2859052 0.74 TDP2 (0.45) PARP1TDP2ABL1LCKFYN

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 5 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
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 866/4885CA9 4271/4885CA12 4729/4885

“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.