SCHEMBL520766

SCHEMBL520766

COc1cc(C2CCN(C[C@@H](C)O)CC2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPM1 P06748 2/20 0.49
ALK Q9UM73 2/20 0.49
QDPR P09417 2/20 0.49
JAK2 O60674 2/20 0.46
TLR9 Q9NR96 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
SLC18A3 Q16572 1/20 0.43
HTR4 Q13639 2/20 0.42
KCNH2 Q12809 2/20 0.42
HRH1 P35367 1/20 0.42
CCR3 P51677 1/20 0.42
CCR5 P51681 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR1D P28221 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL520767 1.00 NPM1 (0.49) NPM1ALKQDPRJAK2TLR9
SCHEMBL310493 0.92 QDPR (0.46) NPM1ALKQDPRTLR9TLR8
SCHEMBL520129 0.89 NPM1 (0.50) NPM1ALKQDPRTLR9TLR8
SCHEMBL520128 0.89 NPM1 (0.50) NPM1ALKQDPRTLR9TLR8
SCHEMBL521058 0.87 TAAR1 (0.50) NPM1ALKQDPRTLR9TLR8
SCHEMBL521057 0.87 TAAR1 (0.50) NPM1ALKQDPRTLR9TLR8
SCHEMBL15652646 0.87 QDPR (0.44) NPM1ALKQDPRSLC18A3HTR4
SCHEMBL20725583 0.85 QDPR (0.49) QDPRHTR4KCNH2CHRM4CHRM5
SCHEMBL519694 0.84 QDPR (0.52) QDPRSLC18A3HTR4KCNH2CHRM4
SCHEMBL28209999 0.84 QDPR (0.49) QDPRHTR4KCNH2CCR5CHRM4

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 3 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

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 NPM1 1309/4885ALK 2/4885QDPR 807/4885

“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.