SCHEMBL2861337

SCHEMBL2861337

COc1ccc(-n2nc3c(c2N)c(=O)[nH]c2cc(OCCCN4CCOCC4)ccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
FGFR1 P11362 2/20 0.45
PDGFRB P09619 1/20 0.45
KDR P35968 1/20 0.45
MAOA P21397 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
PTGS2 P35354 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
FGFR2 P21802 1/20 0.41
FGFR3 P22607 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL2865177 0.92 FGFR1 (0.45) KDM4EFGFR1PDGFRBKDRMAOA
SCHEMBL2867604 0.91 FGFR1 (0.43) KDM4EFGFR1PDGFRBKDRMAOA
SCHEMBL2857971 0.90 FGFR1 (0.48) KDM4EFGFR1PDGFRBKDRMAOA
SCHEMBL2861595 0.89 FGFR1 (0.43) KDM4EFGFR1PDGFRBKDRMAOA
SCHEMBL2868581 0.89 KDM4E (0.49) KDM4EFGFR1PDGFRBKDRMAOA
SCHEMBL2868766 0.89 KDM4E (0.51) KDM4EFGFR1PDGFRBKDRMAOA
SCHEMBL2861085 0.89 MAOA (0.42) KDM4EFGFR1PDGFRBKDRMAOA
SCHEMBL2861165 0.88 KDM4E (0.49) KDM4EFGFR1PDGFRBKDRMAOA
SCHEMBL2866809 0.88 MCHR1 (0.51) KDM4EFGFR1PDGFRBKDRSMN1; SMN2
SCHEMBL2870417 0.88 PDGFRB (0.43) KDM4EFGFR1PDGFRBKDRMAOA

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 KDM4E 1057/4885FGFR1 201/4885PDGFRB 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.