SCHEMBL63859

SCHEMBL63859

O=[C]c1c(C(=O)c2cccc3ccccc23)ccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.57
CNR2 P34972 12/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CNR1 P21554 9/20 0.47
MMP3 P08254 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
PTPN1 P18031 1/20 0.45
PLK1 P53350 1/20 0.45
CYP2C9 P11712 1/20 0.45
WDR5 P61964 1/20 0.43

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
SCHEMBL11383181 0.85 CDC25B (0.56) CDC25BCNR2NR4A1NR4A2NR4A3
SCHEMBL3282521 0.83 WDR5 (0.47) CDC25BCNR2NR4A1NR4A2NR4A3
SCHEMBL5911605 0.83 MEN1 (0.49) CDC25BCNR2NR4A1NR4A2NR4A3
SCHEMBL29414437 0.82 CDC25B (0.80) CDC25BCNR2NR4A1NR4A2NR4A3
SCHEMBL244802 0.82 CDC25B (0.80) CDC25BCNR2NR4A1NR4A2NR4A3
SCHEMBL6539256 0.81 WDR5 (0.61) CDC25BNR4A1NR4A2NR4A3MEN1
Hydrochloric Acid SCHEMBL27713225 0.80 CDC25B (0.77) CDC25BCNR2NR4A1NR4A2NR4A3
SCHEMBL3246521 0.79 ALDH1A1 (0.46) NR4A1NR4A2NR4A3MEN1MAPT
SCHEMBL5911604 0.79 CDC25B (0.61) CDC25BCNR2NR4A1NR4A2NR4A3
SCHEMBL8710831 0.78 MEN1 (0.50) MEN1MAPTHTTKMT2ANPSR1

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-9453015-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-20150166536-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-06-18 US disclosed
US-8980888-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-03-17 US disclosed
US-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-12-25 US disclosed
EP-2528914-A1 FURO [3, 2 -B]PYRANE DERIVATIVES USEFUL IN THE SYNTHESIS OF HALICHONDRIN B ANALOGS Eisai R&D Management Co., Ltd. (JP) 2012-12-05 EP disclosed
WO-2011094339-A1 FURO [3, 2 -B] PYRANE DERIVATIVES USEFUL IN THE SYNTHESIS OF HALICHONDRIN B ANALOGS EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-04 WO disclosed
US-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US 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 (3 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-20150166536-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CDC25B 3214/4885CNR2 2311/4885NR4A1 2558/4885
US-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CDC25B 3214/4885CNR2 2311/4885NR4A1 2558/4885
US-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TIE1, KDR, FLT1 CDC25B 255/4885CNR2 69/4885NR4A1 1051/4885

“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.