SCHEMBL2863032

SCHEMBL2863032

Nc1c2c(=O)[nH]c3ccccc3c2nn1-c1ccc(CCN2CCOCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.45
PARP1 P09874 4/20 0.43
PDGFRB P09619 2/20 0.42
FGFR1 P11362 2/20 0.42
KDR P35968 2/20 0.42
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 2/20 0.42
GAA P10253 1/20 0.42
FLT1 P17948 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
TERT O14746 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ABCC1 P33527 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39

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
SCHEMBL2867507 0.90 KDM4E (0.43) ABCB1PARP1KDM4EALDH1A1TP53
SCHEMBL2881792 0.90 FGFR1 (0.46) ABCB1PARP1PDGFRBFGFR1KDR
SCHEMBL13066580 0.88 KCNH2 (0.40) ABCB1PARP1PDGFRBFGFR1KDR
SCHEMBL2871082 0.87 KCNH2 (0.40) ABCB1PARP1PDGFRBFGFR1KDR
SCHEMBL2861092 0.78 ADORA3 (0.53) PARP1KDM4EHSD17B10TP53ADORA3
SCHEMBL2861080 0.78 FGFR1 (0.55) PARP1PDGFRBFGFR1KDRKDM4E
SCHEMBL13067107 0.77 TDP2 (0.44) PARP1KDM4EHSD17B10TP53ADORA3
SCHEMBL2864303 0.76 FGFR1 (0.48) PARP1PDGFRBFGFR1KDRKDM4E
SCHEMBL2857971 0.76 FGFR1 (0.48) PDGFRBFGFR1KDRKDM4E
SCHEMBL2866809 0.76 MCHR1 (0.51) PDGFRBFGFR1KDRKDM4EKMT2A

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 ABCB1 2581/4885PARP1 2258/4885PDGFRB 375/4885

“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.