SCHEMBL5316645

SCHEMBL5316645

O=C(O)c1cnc2nc(C(F)(F)F)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PSMD14 O00487 1/20 0.40
SYK P43405 2/20 0.39
HPGDS O60760 1/20 0.38
PTPN1 P18031 1/20 0.37
P4HA1 P13674 1/20 0.37
P4HTM Q9NXG6 1/20 0.37

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
SCHEMBL20589376 0.80 L3MBTL1 (0.65) MGAMMRGPRX4L3MBTL1HPGDS
SCHEMBL16914992 0.77 KDM4E (0.54) MGAML3MBTL1PSMD14P4HA1P4HTM
SCHEMBL13905433 0.76 MGAM (0.49) MGAMPSMD14HPGDSP4HA1P4HTM
SCHEMBL21945729 0.75 HPGDS (0.60) MGAML3MBTL1PSMD14HPGDS
SCHEMBL186213 0.74 L3MBTL1 (0.57) MRGPRX4L3MBTL1P4HA1P4HTM
SCHEMBL29418677 0.74 L3MBTL1 (0.57) MRGPRX4L3MBTL1P4HA1P4HTM
SCHEMBL538271 0.74 SMN1; SMN2 (0.51) MGAMMRGPRX4SYKPTPN1
SCHEMBL29518583 0.74 SMN1; SMN2 (0.51) MGAMMRGPRX4SYKPTPN1
SCHEMBL20589994 0.74 HPGDS (0.59) MGAML3MBTL1PSMD14HPGDS
SCHEMBL13853279 0.73 ALDH1A1 (0.36) L3MBTL1

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 5 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
CN-1096784-A Therapeutic agents containing substituted 4(5) -amino-1, 8-diaminonaphthalenes BOOTS CO PLC (GB) 1994-12-28 CN 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 MGAM 1693/4885MRGPRX4 2715/4885L3MBTL1 4745/4885

“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.