SCHEMBL2861630

SCHEMBL2861630

COc1cccc(-n2nc3c(c2N)c(=O)[nH]c2cc(N)ccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.46
ADORA1 P30542 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RIPK2 O43353 1/20 0.42
XDH P47989 1/20 0.41
EGFR P00533 1/20 0.40
IGF1R P08069 1/20 0.40
RAB9A P51151 1/20 0.39
PARP1 P09874 1/20 0.39
TDP2 O95551 1/20 0.38

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
SCHEMBL2862177 0.90 ADORA3 (0.44) ADORA3ADORA1L3MBTL1SMN1; SMN2MEN1
SCHEMBL2862967 0.89 ADORA3 (0.58) ADORA3ADORA1L3MBTL1SMN1; SMN2MEN1
SCHEMBL2864921 0.86 PTGS2 (0.48) ADORA3ADORA1L3MBTL1SMN1; SMN2EGFR
SCHEMBL2867582 0.85 TDP2 (0.52) ADORA3SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL2864647 0.82 PDE2A (0.44) ADORA3L3MBTL1MEN1KMT2APARP1
SCHEMBL2864315 0.81 ADORA3 (0.50) ADORA3ADORA1SMN1; SMN2EGFRRAB9A
SCHEMBL2859052 0.80 TDP2 (0.45) ADORA3ADORA1PARP1TDP2
SCHEMBL14375280 0.80 MEN1 (0.40) ADORA3ADORA1SMN1; SMN2MEN1KMT2A
SCHEMBL2868766 0.79 KDM4E (0.51) ADORA1SMN1; SMN2MEN1KMT2APARP1
SCHEMBL2862983 0.79 GAA (0.46) ADORA3ADORA1L3MBTL1MEN1KMT2A

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 1829/4885ADORA1 2477/4885L3MBTL1 3503/4885

“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.