SCHEMBL5262525

SCHEMBL5262525

O=C(O)c1ccc2ccc(C(F)(F)F)nc2n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
MGAM O43451 1/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
P2RX7 Q99572 1/20 0.39
TAS2R14 Q9NYV8 2/20 0.37
PTGER1 P34995 1/20 0.36
CNR2 P34972 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
MMP2 P08253 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ASPH Q12797 1/20 0.34

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
SCHEMBL28506643 0.82 KDM4E (0.67) KDM4EKMT2AMEN1LMNAMGAM
SCHEMBL29375278 0.76 P2RX7 (0.64) KDM4EKMT2ALMNAMGAMALOX15
SCHEMBL496206 0.76 P2RX7 (0.64) KDM4EKMT2ALMNAMGAMALOX15
SCHEMBL122983 0.73 TAS2R14 (0.40) KDM4ELMNATAS2R14ASPH
SCHEMBL30505631 0.73 ASPH (0.38) KDM4EKMT2ALMNAMGAMALOX15
SCHEMBL1111665 0.73 ASPH (0.38) KDM4EKMT2ALMNAMGAMALOX15
SCHEMBL127078 0.72 ALDH1A1 (0.49) KMT2AMEN1LMNATAS2R14
Methylene Chloride SCHEMBL28293379 0.70 P2RX7 (0.61) KDM4ELMNAALOX15TSHRACMSD
SCHEMBL5316645 0.70 MGAM (0.45) MGAML3MBTL1
SCHEMBL28316951 0.69 CCR1 (0.39) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824828-A2 PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS Peakdale Molecular Limited (GB) 2007-08-29 EP claimed
WO-2006059103-A2 PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS PEAKDALE MOLECULAR LIMITED (GB) 2006-06-08 WO claimed
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US disclosed
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US disclosed
EP-1824828-A2 PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS Peakdale Molecular Limited (GB) 2007-08-29 EP disclosed
WO-2006059103-A2 PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS PEAKDALE MOLECULAR LIMITED (GB) 2006-06-08 WO 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-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PNPO, CYP4B1, PDXK KDM4E 376/4885KMT2A 3107/4885MEN1 2353/4885

“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.