SCHEMBL2864310

SCHEMBL2864310

COc1ccc(Cn2c(=O)c3c(N)n(-c4ccc(Oc5ccccc5)cc4C)nc3c3c(O)cc(OC)cc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
GAA P10253 4/20 0.37
KDM4E B2RXH2 3/20 0.37
GLA P06280 3/20 0.37
HPGD P15428 3/20 0.37
CASP1 P29466 3/20 0.37
CASP7 P55210 3/20 0.37
HSD17B10 Q99714 3/20 0.37
USP2 O75604 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPK1 P28482 1/20 0.37
AKR1C3 P42330 1/20 0.37
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ERCC5 P28715 2/20 0.36
FEN1 P39748 2/20 0.36
GABRA5 P31644 1/20 0.35
KLK1 P06870 1/20 0.35
BRD4 O60885 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL2870490 0.90 NPC1 (0.43) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL2868716 0.89 ADORA3 (0.39) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL2866812 0.87 P2RX4 (0.44) ALDH1A1GAAKDM4ENPSR1MAPK1
SCHEMBL2872737 0.86 OPRK1 (0.39) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL2862981 0.84 PLA2G10 (0.39) ALDH1A1GAAMAPK1BLMSMN1; SMN2
SCHEMBL2861590 0.81 NPC1 (0.44) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL2865359 0.80 ADORA3 (0.39) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL2855985 0.79 P2RX4 (0.43) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL2861396 0.78 BTK (0.39) MGLLCOMT
SCHEMBL2862282 0.77 P2RX4 (0.42) ALDH1A1GAAKDM4EHPGDBLM

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 ALDH1A1 2391/4885GAA 4868/4885KDM4E 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.