SCHEMBL2864995

SCHEMBL2864995

COc1ccc(C)c(-n2nc3c(c2N)c(=O)[nH]c2cc(OCCCN4CCOCC4)c(OC)cc23)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
RCE1 Q9Y256 1/20 0.45
SRC P12931 5/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
RAD52 P43351 1/20 0.43
KDR P35968 2/20 0.43
MAPK1 P28482 2/20 0.42
MAP2K1 Q02750 1/20 0.41
AXL P30530 1/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
ATM Q13315 1/20 0.40
NR1I2 O75469 1/20 0.40
MET P08581 1/20 0.40
TLR4 O00206 1/20 0.40
PDPK1 O15530 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
SCHEMBL2861437 0.96 KDM4E (0.46) KDM4ERCE1SRCALDH1A1LMNA
SCHEMBL13025305 0.92 SRC (0.49) KDM4ERCE1SRCALDH1A1LMNA
SCHEMBL2857530 0.91 KDM4E (0.46) KDM4ERCE1SRCALDH1A1LMNA
SCHEMBL2868581 0.90 KDM4E (0.49) KDM4EALDH1A1KDR
SCHEMBL2865389 0.86 KDM4E (0.50) KDM4EALDH1A1KDR
SCHEMBL2870423 0.85 KDM4E (0.38) KDM4EALDH1A1LMNA
SCHEMBL2860241 0.85 MAP2K1 (0.48) KDM4ERCE1SRCALDH1A1LMNA
SCHEMBL2870232 0.82 MAOA (0.43) KDM4EKDR
SCHEMBL2865506 0.82 SRC (0.46) SRCKDRABL1PDPK1
SCHEMBL2861165 0.82 KDM4E (0.49) KDM4ESRCALDH1A1KDR

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 1057/4885RCE1 922/4885SRC 122/4885

“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.