SCHEMBL2861079

SCHEMBL2861079

COCCOc1cccc(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.48
ADORA1 P30542 3/20 0.48
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TDP2 O95551 1/20 0.38
PARP1 P09874 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
LYN P07948 1/20 0.38
SRC P12931 1/20 0.38
MAPK14 Q16539 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
SCHEMBL2868743 0.89 ADORA3 (0.44) ADORA3ADORA1LMNATDP2PARP1
SCHEMBL2859148 0.88 ADORA3 (0.43) ADORA3ADORA1LMNATDP2KDM4E
SCHEMBL2862967 0.88 ADORA3 (0.58) ADORA3ADORA1LMNATP53MAPT
SCHEMBL13025364 0.86 ADORA3 (0.46) ADORA3ADORA1LMNAMAPTTDP2
SCHEMBL2871556 0.84 TDP2 (0.45) ADORA3ADORA1LMNATDP2KDM4E
SCHEMBL2865572 0.84 ADORA3 (0.43) ADORA3ADORA1LMNAMAPTTDP2
SCHEMBL2868721 0.83 ADORA3 (0.45) ADORA3ADORA1TDP2ABL1LCK
SCHEMBL2857762 0.83 SCN9A (0.41) ADORA3ADORA1PARP1KDM4EALDH1A1
SCHEMBL2859052 0.81 TDP2 (0.45) ADORA3ADORA1TDP2PARP1ABL1
SCHEMBL2863007 0.81 SCN9A (0.39) ADORA3ADORA1KDM4EALDH1A1SMN1; SMN2

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 2477/4885LMNA 4123/4885

“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.