Sugi Predict

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SCHEMBL2865205

SCHEMBL2865205

COc1ccc(OC)c(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.47
▸ MAPT P10636 2/20 0.46
▸ ADORA1 P30542 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ ABCG2 Q9UNQ0 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NCOA2 Q15596 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL2868559 0.90 ADORA3 (0.47) ADORA3MAPTADORA1HSD17B10PKM
SCHEMBL2870546 0.89 PDE2A (0.47) ADORA3MAPTADORA1HSD17B10PKM
SCHEMBL2863364 0.88 KDM4E (0.44) ADORA3ADORA1ABCG2SMN1; SMN2KDM4E
SCHEMBL2864390 0.84 KDM4E (0.43) ADORA3MAPTADORA1HSD17B10PKM
SCHEMBL2862967 0.84 ADORA3 (0.58) ADORA3MAPTADORA1HSD17B10SMN1; SMN2
SCHEMBL2858978 0.84 ADORA3 (0.60) ADORA3MAPTADORA1SMN1; SMN2HTT
SCHEMBL2867684 0.82 LMNA (0.42) ADORA3ADORA1HSD17B10PKMKMT2A
SCHEMBL2859234 0.82 ALOX12 (0.52) ADORA3MAPTADORA1ABCG2SMN1; SMN2
SCHEMBL2865235 0.82 ABCG2 (0.43) ADORA3ADORA1ABCG2SMN1; SMN2CYP1A2
SCHEMBL2864315 0.82 ADORA3 (0.50) ADORA3ADORA1ABCG2SMN1; SMN2HTT

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 7 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-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
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 1829/4885MAPT 4583/4885ADORA1 2477/4885

“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.