SCHEMBL2865416

SCHEMBL2865416

COc1ccc(Cn2c(=O)c3c(N)n(-c4ccccc4C(C)C)nc3c3ccc(OC(C)C)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 5/20 0.41
MAPK1 P28482 2/20 0.39
PLA2G10 O15496 1/20 0.38
P2RX4 Q99571 1/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
GABRA5 P31644 1/20 0.36
PLA2G2A P14555 2/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2862341 0.87 PDE1B (0.40) S1PR3MAPK1PLA2G10GAAMAPT
SCHEMBL2861122 0.87 PDE1A (0.39) MAPK1PLA2G10GAAMEN1KMT2A
SCHEMBL2857641 0.85 PDE1B (0.38) MAPK1PLA2G10GAAMEN1KMT2A
SCHEMBL2867619 0.85 BCL2 (0.40) S1PR3MAPK1PLA2G10P2RX4GAA
SCHEMBL2862981 0.85 PLA2G10 (0.39) S1PR3MAPK1PLA2G10GAAMEN1
SCHEMBL2862709 0.85 RXFP1 (0.42) S1PR3PLA2G10MAPTPDE1APDE1B
SCHEMBL2866691 0.84 PIK3R1 (0.40) S1PR3PLA2G10MEN1KMT2AMAPT
SCHEMBL2858941 0.83 GAA (0.38) S1PR3MAPK1PLA2G10GAAMEN1
SCHEMBL2856173 0.81 MEN1 (0.41) S1PR3MAPK1PLA2G10GAAMEN1
SCHEMBL2863040 0.81 MAPT (0.43) MAPK1P2RX4GAAMEN1KMT2A

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 5 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-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 S1PR3 1346/4885MAPK1 58/4885PLA2G10 4186/4885

“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.