SCHEMBL2868547

SCHEMBL2868547

CN1CCN(CCCOc2ccc3c(c2)[nH]c(=O)c2c(N)n(-c4cccc(O)c4)nc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.46
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
DRD3 P35462 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ESR1 P03372 1/20 0.38
KIT P10721 1/20 0.38
FLT3 P36888 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
SCHEMBL2868613 0.87 FGFR1 (0.49) FGFR1FGFR2FGFR3DRD2SIGMAR1
SCHEMBL2869212 0.87 HTR7 (0.43) FGFR1DRD2
SCHEMBL2872630 0.85 HTR7 (0.42) FGFR1
SCHEMBL2857668 0.84 HRH4 (0.45) XDHDRD3HRH3HRH4HTR1A
SCHEMBL14375313 0.84 XDH (0.43) XDHFGFR1HRH3SIGMAR1ESR1
SCHEMBL2865177 0.82 FGFR1 (0.45) XDHFGFR1FGFR2FGFR3HRH3
SCHEMBL2856171 0.80 FGFR1 (0.38) FGFR1DRD3HTR1ADRD2
SCHEMBL2868766 0.79 KDM4E (0.51) FGFR1FGFR2FGFR3DRD2SIGMAR1
SCHEMBL2870232 0.79 MAOA (0.43) XDHFGFR1FGFR2FGFR3SIGMAR1
SCHEMBL2861337 0.79 KDM4E (0.50) FGFR1FGFR2FGFR3HRH3SIGMAR1

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 6 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
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 XDH 389/4885FGFR1 201/4885FGFR2 594/4885

“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.