SCHEMBL5264358

SCHEMBL5264358

NNc1nccc2nc(C(F)(F)F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.37
SYK P43405 3/20 0.34
MAT2A P31153 2/20 0.34
CLK4 Q9HAZ1 3/20 0.33
LOXL2 Q9Y4K0 2/20 0.33
ACVR1 Q04771 2/20 0.33
P2RX7 Q99572 1/20 0.33
NT5E P21589 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
MARK3 P27448 1/20 0.33
KDR P35968 1/20 0.33
MAPKAPK2 P49137 1/20 0.33

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
SCHEMBL5265938 0.78 NOS3 (0.40) ALDH1A1KDM4ESYKMAT2ACLK4
SCHEMBL3124379 0.76 BACE1 (0.43) MAPTALDH1A1GAAKDM4ERAB9A
SCHEMBL4187576 0.75 NT5E (0.42) MAPTSYKMAT2ACLK4LOXL2
SCHEMBL13853234 0.75 CYP2A6 (0.40) MAPTKDM4EMAT2ANT5EPKM
SCHEMBL5262734 0.74 ALDH1A1 (0.43) MAPTALDH1A1GAAKDM4ERAB9A
SCHEMBL5260211 0.74 LOXL2 (0.44) SYKCLK4LOXL2ACVR1NT5E
SCHEMBL13853242 0.74 CYP1A2 (0.50) MAPTALDH1A1KDM4ECLK4
SCHEMBL3130736 0.73 MAPT (0.38) MAPTALDH1A1GAAKDM4ERAB9A
SCHEMBL13853248 0.73 CNR2 (0.35) ALDH1A1KDM4ESYKCLK4LOXL2
SCHEMBL5261941 0.72 CNR2 (0.36) SYKCLK4LOXL2ACVR1NT5E

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 MAPT 1170/4885ALDH1A1 290/4885GAA 875/4885

“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.