SCHEMBL13853276

SCHEMBL13853276

O=C(O)Cc1ncnc2nc(C(F)(F)F)ccc12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.38
SYK P43405 2/20 0.35
AKR1B1 P15121 11/20 0.34
MBOAT4 Q96T53 1/20 0.34
P2RX7 Q99572 1/20 0.33
EIF4EBP1 Q13541 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
PDE4B Q07343 1/20 0.32

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
SCHEMBL13853274 0.86 SYK (0.37) SYKP2RX7EIF4EBP1
SCHEMBL13853268 0.79 ALDH1A1 (0.35) PDE4B
SCHEMBL13853260 0.79 PDE4B (0.38) SYKP2RX7PDE4B
SCHEMBL13853281 0.79 ALDH1A1 (0.33)
SCHEMBL13853272 0.78 PDE4B (0.39) SYKP2RX7EIF4EBP1PDE4B
SCHEMBL4195175 0.77 ALDH1A1 (0.36) PDE4B
SCHEMBL13853257 0.73 ADK (0.44)
SCHEMBL13853252 0.70 PDE4A (0.36) EIF4EBP1PDE4B
SCHEMBL13853282 0.70 ALDH1A1 (0.39) MBOAT4PDE4B
SCHEMBL5264672 0.70 ALDH1A1 (0.36)

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 AGBL2 2470/4885SYK 1839/4885AKR1B1 251/4885

“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.