SCHEMBL2865359

SCHEMBL2865359

COc1ccc(Cn2c(=O)c3c(N)n(-c4ccc(Oc5ccccc5)cc4)nc3c3c(OC)cc(OC)cc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.39
GABRA5 P31644 1/20 0.39
POLB P06746 3/20 0.38
ALDH1A1 P00352 3/20 0.38
FAAH O00519 2/20 0.38
MGLL Q99685 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 2/20 0.37
MAPK1 P28482 1/20 0.37
BLM P54132 1/20 0.37
P2RX4 Q99571 1/20 0.37
RGS4 P49798 1/20 0.37
RGS8 P57771 1/20 0.37
NPBWR1 P48145 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 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
SCHEMBL2868716 0.90 ADORA3 (0.39) ADORA3GABRA5POLBALDH1A1FAAH
SCHEMBL2865409 0.88 KDM4E (0.41) ADORA3GABRA5POLBALDH1A1SMN1; SMN2
SCHEMBL2868756 0.86 KMT2A (0.48) POLBALDH1A1SMN1; SMN2MAPK1P2RX4
SCHEMBL2861590 0.85 NPC1 (0.44) GABRA5POLBALDH1A1SMN1; SMN2GAA
SCHEMBL2861196 0.83 MAPK1 (0.42) ADORA3SMN1; SMN2GAAMAPK1BLM
SCHEMBL2867619 0.83 BCL2 (0.40) ADORA3ALDH1A1SMN1; SMN2GAAMAPK1
SCHEMBL2860455 0.82 LMNA (0.40) GABRA5POLBALDH1A1SMN1; SMN2GAA
SCHEMBL2860751 0.82 P2RX4 (0.44) GABRA5POLBALDH1A1SMN1; SMN2GAA
SCHEMBL2871092 0.80 P2RX4 (0.54) GABRA5POLBALDH1A1SMN1; SMN2GAA
SCHEMBL2864310 0.80 ALDH1A1 (0.37) ADORA3GABRA5ALDH1A1FAAHMGLL

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 ADORA3 1829/4885GABRA5 2689/4885POLB 4153/4885

“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.