SCHEMBL5264754

SCHEMBL5264754

O=C1NCCc2nc(C(F)(F)F)ccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 9/20 0.47
PARP11 Q9NR21 7/20 0.47
PARP15 Q460N3 1/20 0.47
PARP14 Q460N5 1/20 0.47
TIPARP Q7Z3E1 1/20 0.47
PARP16 Q8N5Y8 1/20 0.47
GRM5 P41594 2/20 0.46
PARP1 P09874 5/20 0.45
CYP1A2 P05177 1/20 0.44
PDPK1 O15530 1/20 0.39
ACHE P22303 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
KCNH2 Q12809 1/20 0.38
NTRK1 P04629 1/20 0.37
MAPKAPK2 P49137 1/20 0.36

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
SCHEMBL26453573 0.84 PARP10 (0.45) PARP10PARP11PARP15PARP14TIPARP
SCHEMBL30099131 0.83 MKNK2 (0.42) PARP10PARP11PARP15PARP14TIPARP
SCHEMBL29875581 0.78 GRM5 (0.37) PARP10PARP11PARP15PARP14TIPARP
SCHEMBL21223411 0.78 GRM5 (0.37) PARP10PARP11PARP15PARP14TIPARP
SCHEMBL23649631 0.75 GRM5 (0.46) PARP10PARP11GRM5PARP1CYP1A2
SCHEMBL30130624 0.75 PARP10 (0.49) PARP10PARP11GRM5PARP1CYP1A2
SCHEMBL3403552 0.75 GRM5 (0.46) PARP10PARP11GRM5PARP1CYP1A2
SCHEMBL10008839 0.75 ACHE (0.49) PARP10PARP11GRM5PARP1CYP1A2
SCHEMBL19153633 0.75 PARP10 (0.49) PARP10PARP11GRM5PARP1CYP1A2
SCHEMBL14107440 0.74 PARP10 (0.49) PARP10PARP11PARP15PARP14TIPARP

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 8 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
EP-4655293-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Crop Protection AG (CH) 2025-12-03 EP disclosed
WO-2024156664-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2024-08-02 WO 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
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 PARP10 851/4885PARP11 425/4885PARP15 353/4885

“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.