SCHEMBL2857530

SCHEMBL2857530

COc1cc2c(cc1OCCCN1CCOCC1)[nH]c(=O)c1c(N)n(-c3ccccc3C)nc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
RCE1 Q9Y256 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
RAD52 P43351 1/20 0.45
ATM Q13315 1/20 0.44
MET P08581 4/20 0.44
MAPK1 P28482 2/20 0.44
TLR4 O00206 1/20 0.43
CHEK1 O14757 1/20 0.43
SRC P12931 3/20 0.43
AXL P30530 1/20 0.41
PKM P14618 1/20 0.41
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
SCHEMBL2864995 0.91 KDM4E (0.45) KDM4ERCE1ALDH1A1LMNARAD52
SCHEMBL2861437 0.87 KDM4E (0.46) KDM4ERCE1ALDH1A1LMNARAD52
SCHEMBL2860241 0.86 MAP2K1 (0.48) KDM4ERCE1ALDH1A1LMNARAD52
SCHEMBL13025305 0.86 SRC (0.49) KDM4ERCE1ALDH1A1LMNARAD52
SCHEMBL2868730 0.84 ADORA3 (0.42) KDM4EALDH1A1LMNAATMCHEK1
SCHEMBL2869046 0.82 RAF1 (0.47) KDM4ERCE1ALDH1A1LMNARAD52
SCHEMBL2870141 0.81 EGFR (0.42) SRCPDPK1
SCHEMBL2868581 0.81 KDM4E (0.49) KDM4EALDH1A1
SCHEMBL2866686 0.79 CSF1R (0.45) KDM4E
SCHEMBL2861115 0.78 ADORA3 (0.40) KDM4EALDH1A1LMNACHEK1

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 922/4885ALDH1A1 2391/4885

“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.