SCHEMBL4187576

SCHEMBL4187576

FC(F)(F)c1ccc2c(Cl)nccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.42
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
APEX1 P27695 1/20 0.40
MAPK1 P28482 1/20 0.40
PMP22 Q01453 1/20 0.40
CLK4 Q9HAZ1 4/20 0.36
ACVR1 Q04771 3/20 0.36
ABL1 P00519 2/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
JAK2 O60674 1/20 0.36
NTRK1 P04629 1/20 0.36
RET P07949 1/20 0.36
JAK3 P52333 1/20 0.36
MAP2K1 Q02750 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35

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
SCHEMBL9985459 0.82 LMNA (0.40) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL13853234 0.79 CYP2A6 (0.40) NT5EMAPTADRB1MAT2A
SCHEMBL5265938 0.79 NOS3 (0.40) NT5ECLK4ACVR1ABL1GSK3A
SCHEMBL13853241 0.78 PDE4B (0.38) NT5ECLK4ACVR1ABL1GSK3A
SCHEMBL10131797 0.75 LMNA (0.46) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL5264358 0.75 MAPT (0.46) NT5EMAPTCLK4ACVR1ABL1
SCHEMBL13853244 0.75 TAS2R14 (0.42) CLK4ACVR1ABL1GSK3AGSK3B
SCHEMBL5260211 0.75 LOXL2 (0.44) NT5EMAPK1CLK4ACVR1ADRB1
SCHEMBL5262350 0.75 MAT2A (0.40) NT5ELMNACLK4ACVR1GABRA1
SCHEMBL3132608 0.74 NT5E (0.35) NT5EGABRA1GABRG2GABRB3GABRA3

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
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
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 NT5E 620/4885LMNA 3915/4885CYP3A4 7/4885

“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.