SCHEMBL2864783

SCHEMBL2864783

COc1ccc(Cl)c(-n2cc3c(=O)[nH]c4cc(OCCCN5CCOCC5)ccc4c3n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
JAK2 O60674 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ADORA3 P0DMS8 2/20 0.43
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAOA P21397 1/20 0.43
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
SRC P12931 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
KDR P35968 1/20 0.42
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2870092 0.96 KDM4E (0.53) KDM4EJAK2MEN1MAPTKMT2A
SCHEMBL2865098 0.90 KDM4E (0.49) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL13025281 0.88 KDM4E (0.55) KDM4EMEN1MAPTKMT2AADORA3
Hydrochloric Acid SCHEMBL2868690 0.87 KDM4E (0.54) KDM4EMEN1MAPTKMT2AADORA3
SCHEMBL2861165 0.84 KDM4E (0.49) KDM4EJAK2MEN1MAPTKMT2A
SCHEMBL2858247 0.80 KDM4E (0.49) KDM4EJAK2MEN1MAPTKMT2A
SCHEMBL2867332 0.79 NPC1 (0.43) KDM4EMEN1MAPTKMT2AADORA3
SCHEMBL2868414 0.77 ADORA3 (0.51) KDM4EADORA3ALDH1A1HPGDNPC1
SCHEMBL2867992 0.77 ADORA3 (0.51) KDM4EADORA3ALDH1A1HPGDGAA
SCHEMBL2868581 0.77 KDM4E (0.49) KDM4EJAK2MEN1MAPTKMT2A

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 80/4885MEN1 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.