SCHEMBL5260211

SCHEMBL5260211

NCc1nccc2nc(C(F)(F)F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.44
LOX P28300 1/20 0.42
PDE4B Q07343 3/20 0.38
SYK P43405 3/20 0.35
NT5E P21589 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
PKM P14618 1/20 0.32
ADRB1 P08588 1/20 0.32
ROCK1 Q13464 1/20 0.32
MBOAT4 Q96T53 1/20 0.32
TLR7 Q9NYK1 1/20 0.31
ACVR1 Q04771 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
MAPK1 P28482 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31

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
SCHEMBL5261753 0.88 LOXL2 (0.38) LOXL2LOXPDE4BSYKNT5E
SCHEMBL5265938 0.78 NOS3 (0.40) LOXL2LOXSYKNT5EPKM
SCHEMBL5261591 0.78 SYK (0.42) SYKACVR1CLK4
SCHEMBL4187576 0.75 NT5E (0.42) LOXL2SYKNT5EADRB1ACVR1
SCHEMBL13853234 0.75 CYP2A6 (0.40) NT5EPKMADRB1MBOAT4
SCHEMBL5264358 0.74 MAPT (0.46) LOXL2LOXSYKNT5EPKM
SCHEMBL13853260 0.74 PDE4B (0.38) LOXL2LOXPDE4BSYKTRPV4
SCHEMBL13853248 0.73 CNR2 (0.35) LOXL2LOXSYKNT5EACVR1
SCHEMBL5261941 0.72 CNR2 (0.36) LOXL2LOXSYKNT5ETLR7
SCHEMBL1509561 0.72 LOXL2 (0.52) LOXL2LOXSYKIRAK4PKM

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
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 LOXL2 4219/4885LOX 1311/4885PDE4B 378/4885

“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.