SCHEMBL520758

SCHEMBL520758

COc1cc(N2CCCC(N3CCN(C(=O)OCc4ccccc4)CC3)C2)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.54
TMEM97 Q5BJF2 9/20 0.54
HTR1A P08908 2/20 0.54
HRH2 P25021 2/20 0.54
HRH1 P35367 2/20 0.54
HRH3 Q9Y5N1 2/20 0.54
ADRA2C P18825 1/20 0.54
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA1D P25100 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
DRD3 P35462 1/20 0.51
HTR2B P41595 1/20 0.51
HTR5A P47898 1/20 0.51
PDE4B Q07343 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
SCHEMBL520893 0.89 SIGMAR1 (0.57) SIGMAR1TMEM97HTR1AHRH2HRH1
SCHEMBL519960 0.86 SIGMAR1 (0.51) SIGMAR1TMEM97HTR1AHRH2HRH1
SCHEMBL1291301 0.85 TMEM97 (0.57) SIGMAR1TMEM97HTR1AHRH2HRH1
SCHEMBL519347 0.83 SHMT2 (0.44) HRH3MEN1ALDH1A1HPGDKMT2A
SCHEMBL25260697 0.79 TMEM97 (0.49) SIGMAR1TMEM97HTR1AHRH2HRH1
SCHEMBL11333631 0.79 NPC1 (0.45) HRH3MEN1ALDH1A1KMT2ANPC1
SCHEMBL18690491 0.78 HDAC1 (0.52) SIGMAR1TMEM97HTR1AHRH2HRH1
SCHEMBL519637 0.78 NPC1 (0.42) HRH3MEN1ALDH1A1KMT2ANPC1
SCHEMBL25260366 0.77 SMN1; SMN2 (0.49) SIGMAR1TMEM97HTR1AHRH2HRH1
SCHEMBL521798 0.77 MEN1 (0.41) SIGMAR1MEN1ALDH1A1KMT2A

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-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 SIGMAR1 4165/4885TMEM97 3409/4885HTR1A 3342/4885

“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.