SCHEMBL2870490

SCHEMBL2870490

COc1ccc(Cn2c(=O)c3c(N)n(-c4ccccc4C)nc3c3c(O)cc(OC)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
GLA P06280 3/20 0.40
GAA P10253 3/20 0.40
HPGD P15428 3/20 0.40
CASP1 P29466 3/20 0.40
CASP7 P55210 3/20 0.40
HSD17B10 Q99714 3/20 0.40
USP2 O75604 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 1/20 0.40
GABRA5 P31644 1/20 0.39
NPBWR1 P48145 1/20 0.38
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
P2RX4 Q99571 1/20 0.37
FEN1 P39748 2/20 0.37
ERCC5 P28715 1/20 0.37

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
SCHEMBL2872737 0.92 OPRK1 (0.39) NPC1ALDH1A1KDM4EGLAGAA
SCHEMBL2861590 0.90 NPC1 (0.44) NPC1ALDH1A1KDM4EGLAGAA
SCHEMBL2864310 0.90 ALDH1A1 (0.37) NPC1ALDH1A1KDM4EGLAGAA
SCHEMBL2868716 0.85 ADORA3 (0.39) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL2864991 0.83 NPC1 (0.44) NPC1ALDH1A1KDM4EGAAHPGD
SCHEMBL2860455 0.82 LMNA (0.40) NPC1ALDH1A1KDM4EGAAUSP2
SCHEMBL2861651 0.79 P2RX4 (0.48) NPC1ALDH1A1KDM4EGAAHPGD
SCHEMBL2863040 0.79 MAPT (0.43) NPC1ALDH1A1KDM4EGAANPSR1
SCHEMBL2861317 0.78 P2RX4 (0.47) NPC1ALDH1A1KDM4EGAANPSR1
SCHEMBL2866812 0.76 P2RX4 (0.44) ALDH1A1KDM4EGAANPSR1MAPK1

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 NPC1 4617/4885ALDH1A1 2391/4885KDM4E 1057/4885

“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.