SCHEMBL2860907

SCHEMBL2860907

Nc1c2c(=O)[nH]c3cc(NCCCN4CCOCC4)ccc3c2nn1-c1cccc(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTR7 P34969 1/20 0.42
RAD52 P43351 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PARP1 P09874 3/20 0.40
HTR3A P46098 1/20 0.40
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 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
SCHEMBL2869212 0.92 HTR7 (0.43) PIK3CDPIK3CAPIK3CBPIK3CGHTR7
SCHEMBL2861162 0.90 HTR7 (0.40) PIK3CDPIK3CAPIK3CBPIK3CGNPC1
SCHEMBL2872630 0.87 HTR7 (0.42) HTR7L3MBTL1PARP1HTR3AKDM4E
SCHEMBL2868762 0.86 NPC1 (0.40) PIK3CDPIK3CAPIK3CBPIK3CGNPC1
SCHEMBL2868613 0.84 FGFR1 (0.49) PARP1KDM4ETP53
SCHEMBL2868580 0.82 KHK (0.42) NPC1RAB9AHTR7RAD52L3MBTL1
SCHEMBL2856171 0.82 FGFR1 (0.38) HTR7RAD52MEN1KMT2A
SCHEMBL14375389 0.82 TSHR (0.38) RAD52MEN1KMT2APARP1KDM4E
SCHEMBL14375315 0.80 PARP1 (0.38) MEN1KMT2AL3MBTL1PARP1KDM4E
SCHEMBL2859143 0.79 KDM4E (0.45) NPC1RAB9ARAD52L3MBTL1KDM4E

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 PIK3CD 440/4885PIK3CA 369/4885PIK3CB 623/4885

“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.