Sugi Predict

Sugi Predict / Compounds / SCHEMBL2868581

SCHEMBL2868581

SCHEMBL2868581

COc1ccc(C)c(-n2nc3c(c2N)c(=O)[nH]c2cc(OCCCN4CCOCC4)ccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.49
▸ MAOA P21397 1/20 0.44
▸ PDGFRB P09619 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ AVPR1B P47901 1/20 0.39
▸ GLA P06280 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
SCHEMBL2865389 0.96 KDM4E (0.50) KDM4EMAOAPDGFRBFGFR1KDR
SCHEMBL2870232 0.92 MAOA (0.43) KDM4EMAOAPDGFRBFGFR1KDR
SCHEMBL2861165 0.92 KDM4E (0.49) KDM4EMAOAPDGFRBFGFR1KDR
SCHEMBL2864995 0.90 KDM4E (0.45) KDM4EKDRALDH1A1
SCHEMBL2861337 0.89 KDM4E (0.50) KDM4EMAOAPDGFRBFGFR1KDR
SCHEMBL2866738 0.88 MAOA (0.47) KDM4EMAOAPDGFRBFGFR1KDR
SCHEMBL2864473 0.88 MAOA (0.47) KDM4EMAOAPDGFRBFGFR1KDR
SCHEMBL2858247 0.88 KDM4E (0.49) KDM4EMAOAPDGFRBFGFR1KDR
SCHEMBL2862095 0.88 MAOA (0.47) KDM4EMAOAPDGFRBFGFR1KDR
SCHEMBL2861437 0.86 KDM4E (0.46) KDM4EMAOAPDGFRBFGFR1KDR

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 1057/4885MAOA 2993/4885PDGFRB 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.