SCHEMBL2861165

SCHEMBL2861165

COc1ccc(Cl)c(-n2nc3c(c2N)c(=O)[nH]c2cc(OCCCN4CCOCC4)ccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
PDE2A O00408 4/20 0.46
JAK2 O60674 1/20 0.44
KDR P35968 4/20 0.42
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
MAOA P21397 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SRC P12931 4/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
NPC1 O15118 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
SCHEMBL2858247 0.96 KDM4E (0.49) KDM4EPDE2AJAK2KDRPDGFRB
SCHEMBL2868581 0.92 KDM4E (0.49) KDM4EJAK2KDRPDGFRBFGFR1
SCHEMBL2864613 0.91 JAK2 (0.46) KDM4EPDE2AJAK2KDRPDGFRB
SCHEMBL13025305 0.90 SRC (0.49) KDM4EPDE2AKDRALDH1A1SRC
SCHEMBL2859143 0.90 KDM4E (0.45) KDM4EPDE2AALDH1A1TSHRMAPT
SCHEMBL2864491 0.88 KDM4E (0.43) KDM4EPDE2AJAK2KDRALDH1A1
SCHEMBL2861337 0.88 KDM4E (0.50) KDM4EKDRPDGFRBFGFR1MAOA
SCHEMBL2865389 0.88 KDM4E (0.50) KDM4EJAK2KDRPDGFRBFGFR1
SCHEMBL2861641 0.87 JAK2 (0.50) KDM4EJAK2KDRPDGFRBFGFR1
SCHEMBL2864783 0.84 KDM4E (0.53) KDM4EPDE2AJAK2KDRMAOA

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 1057/4885PDE2A 2228/4885JAK2 80/4885

“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.