SCHEMBL2857645

SCHEMBL2857645

COc1ccc(Cn2c(=O)c(C#N)c(Cl)c3cc(OC)c(OC)cc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
RXFP1 Q9HBX9 2/20 0.50
P2RX4 Q99571 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
PDE1A P54750 2/20 0.41
PDE1B Q01064 2/20 0.41
PDE1C Q14123 2/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
GABRA5 P31644 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 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
SCHEMBL2867149 0.94 KDM4E (0.47) KDM4ERXFP1P2RX4ALDH1A1MAPT
SCHEMBL2863880 0.83 P2RX4 (0.62) KDM4EP2RX4ALDH1A1MAPTKMT2A
SCHEMBL2859347 0.83 KDM4E (0.43) KDM4ERXFP1P2RX4ALDH1A1MAPT
SCHEMBL2868419 0.82 PDE1A (0.42) KDM4EP2RX4ALDH1A1MAPTKMT2A
SCHEMBL2865248 0.81 HTT (0.52) ALDH1A1KMT2AMEN1LMNA
SCHEMBL13025171 0.81 KDM4E (0.51) KDM4ERXFP1P2RX4MAPTTSHR
SCHEMBL14195200 0.80 GABRA5 (0.47) KDM4EP2RX4ALDH1A1MAPTKMT2A
SCHEMBL14195213 0.80 GABRA5 (0.49) KDM4EP2RX4ALDH1A1MAPTKMT2A
SCHEMBL4848997 0.76 PDE1B (0.45) KDM4ERXFP1ALDH1A1MAPTKMT2A
SCHEMBL13025172 0.76 KDM4E (0.46) KDM4ERXFP1P2RX4MAPTKMT2A

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 3 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-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 1057/4885RXFP1 1309/4885P2RX4 718/4885

“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.