SCHEMBL13853243

SCHEMBL13853243

FC(F)(F)c1ccc2c(N3CCNCC3)nccc2n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.58
HTR2C P28335 4/20 0.52
ADRB2 P07550 3/20 0.52
EPHX2 P34913 1/20 0.51
HTR6 P50406 5/20 0.49
ADRA2A P08913 1/20 0.49
AXL P30530 1/20 0.49
HRH1 P35367 1/20 0.49
HTR2B P41595 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
NCF1 P14598 2/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL5264013 0.95 ADRB1 (0.53) ADRB1HTR2CADRB2EPHX2HTR6
SCHEMBL5262144 0.82 CYP2C19 (0.43) ADRB1CYP1A2
SCHEMBL13853250 0.78 ADRB1 (0.51) ADRB1HTR2CADRB2EPHX2HTR6
SCHEMBL425929 0.77 ADRB2 (0.71) ADRB1HTR2CADRB2HTR6ADRA2A
SCHEMBL526056 0.74 HTR2C (0.65) HTR2CADRB2EPHX2NCF1KDM4E
SCHEMBL230177 0.74 ADRB1 (1.00) ADRB1HTR2CEPHX2HTR2BKDM4E
SCHEMBL29623594 0.74 HTR2C (0.65) HTR2CADRB2EPHX2NCF1KDM4E
SCHEMBL31536991 0.74 ADRB1 (0.55) ADRB1HTR2CADRB2EPHX2HTR6
Hydrochloric Acid SCHEMBL17541669 0.73 ADRB1 (0.97) ADRB1HTR2CEPHX2HTR2BKDM4E
SCHEMBL7405998 0.70 HTR2C (0.64) HTR2CEPHX2HTR6

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 2 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

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 1113/4885HTR2C 2537/4885ADRB2 1853/4885

“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.