SCHEMBL2864491

SCHEMBL2864491

COc1ccc(Cl)c(-n2nc3c(c2N)c(=O)[nH]c2cc(N(CCCN4CCOCC4)CCCN4CCOCC4)ccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.43
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.39
PDE2A O00408 4/20 0.38
HSD17B10 Q99714 4/20 0.37
GAA P10253 3/20 0.37
MAPT P10636 3/20 0.37
TSHR P16473 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GLA P06280 1/20 0.36
JAK2 O60674 1/20 0.35
HTT P42858 1/20 0.35
SRC P12931 2/20 0.35

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
SCHEMBL2861165 0.88 KDM4E (0.49) KDM4EALDH1A1PDE2AMAPTTSHR
SCHEMBL2859143 0.88 KDM4E (0.45) KDM4EALDH1A1LMNAPDE2AMAPT
SCHEMBL2858247 0.86 KDM4E (0.49) KDM4EALDH1A1PDE2AMAPTMEN1
SCHEMBL13025305 0.83 SRC (0.49) KDM4EALDH1A1LMNAPDE2ASRC
SCHEMBL2868581 0.80 KDM4E (0.49) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL2864613 0.79 JAK2 (0.46) KDM4EALDH1A1PDE2AJAK2SRC
SCHEMBL2864647 0.78 PDE2A (0.44) KDM4EALDH1A1LMNAPDE2AGAA
SCHEMBL2865389 0.78 KDM4E (0.50) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2868762 0.77 NPC1 (0.40) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL2861641 0.77 JAK2 (0.50) KDM4EALDH1A1TSHRJAK2SRC

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 KDM4E 1057/4885ALDH1A1 2391/4885LMNA 4123/4885

“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.