SCHEMBL2865248

SCHEMBL2865248

COc1ccc(Cn2c(=O)c(C#N)c(Cl)c3ccc([N+](=O)[O-])cc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.46
SRC P12931 2/20 0.45
PRKACA P17612 1/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45
NOX4 Q9NPH5 1/20 0.45
DCTPP1 Q9H773 1/20 0.44
PIK3R1 P27986 1/20 0.44
PIK3CA P42336 1/20 0.44
IDO1 P14902 1/20 0.42

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
SCHEMBL13025167 0.83 SRC (0.44) MEN1KMT2ASRCPRKACAPRKACG
SCHEMBL2868419 0.81 PDE1A (0.42) ALDH1A1MEN1KMT2ALMNA
SCHEMBL2857645 0.81 KDM4E (0.52) ALDH1A1MEN1KMT2ALMNA
SCHEMBL2863880 0.80 P2RX4 (0.62) HTTALDH1A1MEN1KMT2ALMNA
SCHEMBL2862612 0.77 IDO1 (0.56) DCTPP1PIK3R1PIK3CAIDO1
SCHEMBL14195213 0.77 GABRA5 (0.49) ALDH1A1MEN1KMT2A
SCHEMBL2867149 0.76 KDM4E (0.47) HTTALDH1A1MEN1KMT2ALMNA
SCHEMBL14195200 0.74 GABRA5 (0.47) ALDH1A1MEN1KMT2APIK3R1PIK3CA
SCHEMBL7652126 0.73 TDP1 (0.47) KMT2ASRCPRKACAPRKACGPRKACB
SCHEMBL2859347 0.73 KDM4E (0.43) ALDH1A1MEN1KMT2ALMNAPIK3R1

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 3 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-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 HTT 3876/4885ALDH1A1 2391/4885MEN1 3903/4885

“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.