SCHEMBL520129

SCHEMBL520129

COc1cc(C2CCN(CC(O)CO)CC2)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPM1 P06748 3/20 0.50
ALK Q9UM73 3/20 0.50
INSR P06213 2/20 0.50
QDPR P09417 2/20 0.46
SLC18A3 Q16572 1/20 0.46
TLR9 Q9NR96 1/20 0.46
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
CCNT1 O60563 2/20 0.45
CDK9 P50750 2/20 0.45
HRH1 P35367 1/20 0.44
CCR3 P51677 1/20 0.44
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HTR4 Q13639 1/20 0.40
CCR5 P51681 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
SCHEMBL520128 1.00 NPM1 (0.50) NPM1ALKINSRQDPRSLC18A3
SCHEMBL520767 0.89 NPM1 (0.49) NPM1ALKQDPRSLC18A3TLR9
SCHEMBL520766 0.89 NPM1 (0.49) NPM1ALKQDPRSLC18A3TLR9
SCHEMBL310493 0.86 QDPR (0.46) NPM1ALKQDPRSLC18A3TLR9
SCHEMBL519694 0.84 QDPR (0.52) QDPRSLC18A3KCNH2HTR4
SCHEMBL521058 0.83 TAAR1 (0.50) NPM1ALKINSRQDPRSLC18A3
SCHEMBL15652646 0.83 QDPR (0.44) NPM1ALKQDPRSLC18A3HRH1
SCHEMBL521057 0.83 TAAR1 (0.50) NPM1ALKINSRQDPRSLC18A3
SCHEMBL15156251 0.82 INSR (0.48) NPM1ALKINSRQDPRSLC18A3
SCHEMBL16243251 0.82 INSR (0.48) NPM1ALKINSRQDPRSLC18A3

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 NPM1 1309/4885ALK 2/4885INSR 1738/4885

“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.