SCHEMBL13853274

SCHEMBL13853274

O=C(O)CCc1ncnc2nc(C(F)(F)F)ccc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.37
KMT2A Q03164 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
CES1 P23141 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FFAR1 O14842 2/20 0.32
P2RX7 Q99572 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
RXRG P48443 1/20 0.32
MLYCD O95822 1/20 0.32
EIF4EBP1 Q13541 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL13853276 0.86 AGBL2 (0.38) SYKP2RX7EIF4EBP1
SCHEMBL13853268 0.80 ALDH1A1 (0.35) KMT2ACA2
SCHEMBL5261591 0.80 SYK (0.42) SYKKMT2ASIRT5RXRARXRB
SCHEMBL13853260 0.77 PDE4B (0.38) SYKKMT2AP2RX7CA2
SCHEMBL13853281 0.77 ALDH1A1 (0.33) KMT2ACA2
SCHEMBL13853272 0.76 PDE4B (0.39) SYKKMT2AP2RX7TRPV1EIF4EBP1
SCHEMBL4195175 0.75 ALDH1A1 (0.36) KMT2ACA2
SCHEMBL13853257 0.71 ADK (0.44) KMT2ACA2
SCHEMBL13853252 0.68 PDE4A (0.36) KMT2AEIF4EBP1CA2
SCHEMBL13853282 0.68 ALDH1A1 (0.39) KMT2AL3MBTL1CA2

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 2 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

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 SYK 1839/4885KMT2A 3107/4885SIRT5 141/4885

“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.