SCHEMBL519960

SCHEMBL519960

COc1cc(N2CCCC(N3CCN(C(=O)OCc4ccccc4)CC3)C2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.51
TMEM97 Q5BJF2 10/20 0.51
HTR1A P08908 2/20 0.51
HRH2 P25021 2/20 0.51
HRH1 P35367 2/20 0.51
HRH3 Q9Y5N1 2/20 0.51
ADRA2C P18825 1/20 0.51
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
ALDH1A1 P00352 2/20 0.49

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
SCHEMBL520097 0.90 MAPT (0.54) SIGMAR1TMEM97HTR1AHRH2HRH1
SCHEMBL520758 0.86 SIGMAR1 (0.54) SIGMAR1TMEM97HTR1AHRH2HRH1
SCHEMBL519864 0.84 ALDH1A1 (0.58) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL15754980 0.81 LMNA (0.64) HRH3ALDH1A1LMNAMAPTMEN1
SCHEMBL519153 0.80 SIRT6 (0.67) ALDH1A1LMNAMAPTHPGDSIRT6
SCHEMBL25307456 0.80 MAPT (0.50) SIGMAR1TMEM97HTR1AHRH2HRH1
SCHEMBL30497505 0.80 MAPT (0.50) SIGMAR1TMEM97HTR1AHRH2HRH1
SCHEMBL521267 0.79 ALDH1A1 (0.56) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL310249 0.78 SMN1; SMN2 (0.46) SIGMAR1TMEM97HTR1AHRH2HRH1
SCHEMBL519977 0.78 ALDH1A1 (0.60) ALDH1A1LMNAMAPTMEN1HPGD

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.