SCHEMBL2867111

SCHEMBL2867111

COc1cccc(-n2cc(C=O)c(-c3ccccc3[N+](=O)[O-])n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
NLRP3 Q96P20 1/20 0.53
RAB9A P51151 3/20 0.47
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
POLB P06746 5/20 0.46
MAPT P10636 3/20 0.46
RECQL P46063 2/20 0.46
GLA P06280 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.44
PTGS2 P35354 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
LMNA P02545 1/20 0.43
BRAF P15056 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
SCHEMBL2867410 0.82 LMNA (0.63) KMT2AMEN1RAB9ANPC1CASP3
SCHEMBL718967 0.74 MEN1 (0.53) KMT2AMEN1NLRP3RAB9APOLB
SCHEMBL2869364 0.72 MEN1 (0.39) KMT2AMEN1NLRP3RAB9ANPC1
SCHEMBL717894 0.71 MEN1 (0.50) KMT2AMEN1NLRP3RAB9APOLB
SCHEMBL719895 0.71 MEN1 (0.50) KMT2AMEN1NLRP3RAB9APOLB
SCHEMBL12800771 0.71 SMN1; SMN2 (0.62) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL2557532 0.70 MEN1 (0.52) KMT2AMEN1NLRP3RAB9ANPC1
SCHEMBL720576 0.70 MEN1 (0.49) KMT2AMEN1NLRP3RAB9ANPC1
SCHEMBL12800113 0.70 SMN1; SMN2 (0.51) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL20441066 0.70 KMT2A (0.76) KMT2AMEN1NLRP3RAB9ANPC1

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 7 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-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 KMT2A 1037/4885MEN1 3903/4885NLRP3 564/4885

“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.