SCHEMBL4180891

SCHEMBL4180891

O=C(Cc1ccc(OC(F)(F)F)cc1)c1c(O)c2cccnc2n(-c2ccccc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 7/20 0.44
CYP3A4 P08684 2/20 0.43
BCL2L1 Q07817 1/20 0.42
FEN1 P39748 1/20 0.41
MAPK8 P45983 3/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE4A P27815 3/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
KCNH2 Q12809 1/20 0.40
SCN9A Q15858 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
RECQL P46063 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
SCHEMBL4194557 0.93 BCL2L1 (0.43) CXCR3CYP3A4BCL2L1FEN1PDE4B
SCHEMBL4187682 0.91 PDE4B (0.43) CXCR3CYP3A4FEN1PDE1APDE1B
SCHEMBL4189465 0.89 BCL2L1 (0.42) CXCR3CYP3A4BCL2L1PDE4BPDE4D
SCHEMBL2414794 0.87 PTGDR2 (0.46) FEN1MAPK8PDE1APDE1BPDE4A
SCHEMBL4188348 0.87 CNR2 (0.43) CXCR3CYP3A4BCL2L1FEN1PDE4B
SCHEMBL2409456 0.87 PDE1A (0.51) FEN1MAPK8PDE1APDE1BPDE4A
SCHEMBL4187079 0.87 PDE4B (0.41) CXCR3CYP3A4BCL2L1FEN1PDE4B
SCHEMBL2408715 0.86 CNR2 (0.47) FEN1PDE1APDE1BPDE4APDE4B
SCHEMBL4185730 0.86 PDE4B (0.43) FEN1PDE4BPDE4DKCNH2SCN9A
SCHEMBL4187633 0.82 PPARG (0.41) CXCR3FEN1PDE4BPDE4DKCNH2

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 CXCR3 2133/4885CYP3A4 74/4885BCL2L1 4603/4885

“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.