SCHEMBL4187682

SCHEMBL4187682

O=C(Cc1ccccc1)c1c(O)c2cccnc2n(-c2cccc(OC(F)(F)F)c2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
TOP2A P11388 1/20 0.42
FEN1 P39748 1/20 0.41
KCNH2 Q12809 2/20 0.40
SCN9A Q15858 2/20 0.40
SCN5A Q14524 1/20 0.40
MAPT P10636 2/20 0.40
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
ABCB1 P08183 1/20 0.39
IDO1 P14902 1/20 0.39
PDE4A P27815 1/20 0.39
CXCR3 P49682 2/20 0.39
HPD P32754 1/20 0.38
F2RL3 Q96RI0 1/20 0.38
CYP3A4 P08684 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PPARG P37231 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
SCHEMBL4185730 0.95 PDE4B (0.43) PDE4BPDE4DTOP2AFEN1KCNH2
SCHEMBL4194557 0.94 BCL2L1 (0.43) PDE4BPDE4DTOP2AFEN1KCNH2
SCHEMBL4188348 0.93 CNR2 (0.43) PDE4BPDE4DTOP2AFEN1KCNH2
SCHEMBL4187079 0.92 PDE4B (0.41) PDE4BPDE4DTOP2AFEN1MAPT
SCHEMBL4187633 0.91 PPARG (0.41) PDE4BPDE4DTOP2AFEN1KCNH2
SCHEMBL4180891 0.91 CXCR3 (0.44) PDE4BPDE4DFEN1KCNH2SCN9A
SCHEMBL4190734 0.91 PPARG (0.41) PDE4BPDE4DFEN1KCNH2SCN9A
SCHEMBL4187823 0.89 PDE4B (0.40) PDE4BPDE4DTOP2AFEN1KCNH2
SCHEMBL4191918 0.89 PDE4B (0.41) PDE4BPDE4DTOP2AFEN1KCNH2
SCHEMBL4197150 0.88 PDE4B (0.41) PDE4BPDE4DTOP2AKCNH2SCN9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1925617-B1 HETEROCYCLIC COMPOUND, AND PRODUCTION PROCESS AND USE THEREOF ASKA PHARM CO LTD (JP) 2012-11-14 EP disclosed
US-8193356-B2 Heterocycle compound, and production process and application thereof ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-20090131467-A1 Heterocycle Compound, and Production Process and Application Thereof ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-21 US disclosed
EP-1925617-A1 HETEROCYCLIC COMPOUND, AND PRODUCTION PROCESS AND USE THEREOF ASKA Pharmaceutical Co., Ltd. (JP) 2008-05-28 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-20090131467-A1 Heterocycle Compound, and Production Process and Application Thereof PDE3B, PDE4B, PDE7A PDE4B 2/4885PDE4D 7/4885TOP2A 1415/4885

“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.