SCHEMBL2870092

SCHEMBL2870092

COc1ccc(Cl)c(-n2cc3c(=O)[nH]c4cc(OCCN5CCOCC5)ccc4c3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
JAK2 O60674 1/20 0.48
MAOA P21397 1/20 0.47
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
ADORA3 P0DMS8 2/20 0.44
PARP1 P09874 1/20 0.43
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
KDR P35968 1/20 0.43
RCE1 Q9Y256 1/20 0.41
DRD1 P21728 1/20 0.41
FLT3 P36888 1/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL2864783 0.96 KDM4E (0.53) KDM4EJAK2MAOANPC1ALDH1A1
SCHEMBL2865098 0.88 KDM4E (0.49) KDM4ENPC1ALDH1A1MEN1MAPT
SCHEMBL13025281 0.84 KDM4E (0.55) KDM4EMAOAALDH1A1MEN1MAPT
SCHEMBL2858247 0.83 KDM4E (0.49) KDM4EJAK2MAOANPC1ALDH1A1
Hydrochloric Acid SCHEMBL2868690 0.83 KDM4E (0.54) KDM4EMAOAALDH1A1MEN1MAPT
SCHEMBL2861165 0.80 KDM4E (0.49) KDM4EJAK2MAOANPC1ALDH1A1
SCHEMBL2868414 0.78 ADORA3 (0.51) KDM4ENPC1ALDH1A1ADORA3
SCHEMBL2867992 0.78 ADORA3 (0.51) KDM4ENPC1ALDH1A1ADORA3PARP1
SCHEMBL2867332 0.76 NPC1 (0.43) KDM4ENPC1ALDH1A1MEN1MAPT
SCHEMBL2865389 0.76 KDM4E (0.50) KDM4EJAK2MAOANPC1ALDH1A1

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 1057/4885JAK2 80/4885MAOA 2993/4885

“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.