SCHEMBL5264013

SCHEMBL5264013

FC(F)(F)c1ccc2c(N3CCCNCC3)nccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.53
ADRB2 P07550 3/20 0.48
HTR2C P28335 4/20 0.48
EPHX2 P34913 1/20 0.47
HTR6 P50406 4/20 0.46
ADRA2A P08913 1/20 0.46
AXL P30530 1/20 0.46
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
NCF1 P14598 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
TLR7 Q9NYK1 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL13853243 0.95 ADRB1 (0.58) ADRB1ADRB2HTR2CEPHX2HTR6
SCHEMBL5262144 0.78 CYP2C19 (0.43) ADRB1CYP1A2ROCK2ROCK1TLR7
SCHEMBL2005654 0.77 ADRB1 (0.89) ADRB1HTR2CHRH1HTR2BKDM4E
SCHEMBL13853250 0.74 ADRB1 (0.51) ADRB1ADRB2HTR2CEPHX2HTR6
SCHEMBL425929 0.73 ADRB2 (0.71) ADRB1ADRB2HTR2CHTR6ADRA2A
SCHEMBL27456544 0.72 HTR2C (0.88) ADRB2HTR2CHTR6NCF1KDM4E
SCHEMBL2724231 0.72 ADRB2 (0.90) ADRB1ADRB2HTR2CHTR6ADRA2A
SCHEMBL5356587 0.71 EPHX2 (0.89) EPHX2NCF1
SCHEMBL31536991 0.70 ADRB1 (0.55) ADRB1ADRB2HTR2CEPHX2HTR6
SCHEMBL29623594 0.70 HTR2C (0.65) ADRB2HTR2CEPHX2NCF1KDM4E

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 ADRB1 1113/4885ADRB2 1853/4885HTR2C 2537/4885

“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.