SCHEMBL2868613

SCHEMBL2868613

Nc1c2c(=O)[nH]c3cc(OCCN4CCOCC4)ccc3c2nn1-c1cccc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.49
KDR P35968 2/20 0.49
PDGFRB P09619 2/20 0.49
MAOA P21397 1/20 0.45
JAK2 O60674 1/20 0.44
FGFR2 P21802 1/20 0.43
FGFR3 P22607 1/20 0.43
PARP1 P09874 1/20 0.42
ESR1 P03372 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPK14 Q16539 1/20 0.41
PDGFRA P16234 1/20 0.41
MAP3K14 Q99558 1/20 0.40
DRD2 P14416 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
MCHR1 Q99705 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 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
SCHEMBL2868766 0.91 KDM4E (0.51) FGFR1KDRPDGFRBMAOAJAK2
SCHEMBL2868547 0.87 XDH (0.46) FGFR1FGFR2FGFR3ESR1DRD2
SCHEMBL2865177 0.87 FGFR1 (0.45) FGFR1KDRPDGFRBMAOAJAK2
SCHEMBL2861641 0.86 JAK2 (0.50) FGFR1KDRPDGFRBMAOAJAK2
SCHEMBL2864473 0.86 MAOA (0.47) FGFR1KDRPDGFRBMAOAJAK2
SCHEMBL2860907 0.84 PIK3CD (0.44) PARP1KDM4ETP53
SCHEMBL2861080 0.84 FGFR1 (0.55) FGFR1KDRPDGFRBMAOAPARP1
SCHEMBL2857971 0.82 FGFR1 (0.48) FGFR1KDRPDGFRBMAOAJAK2
SCHEMBL2861337 0.82 KDM4E (0.50) FGFR1KDRPDGFRBMAOAFGFR2
SCHEMBL2865355 0.82 FGFR1 (0.43) FGFR1KDRPDGFRBMAOAJAK2

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 FGFR1 201/4885KDR 1226/4885PDGFRB 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.