SCHEMBL521024

SCHEMBL521024

COc1cc(N)ccc1C1CCN(CC(N)=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.49
HTR4 Q13639 3/20 0.47
ACHE P22303 2/20 0.47
RAD52 P43351 1/20 0.46
GFER P55789 1/20 0.46
DRD2 P14416 2/20 0.44
CCNT1 O60563 3/20 0.44
CDK9 P50750 3/20 0.44
ALDH1A1 P00352 1/20 0.43
ALK Q9UM73 4/20 0.42
INSR P06213 3/20 0.42
NPM1 P06748 3/20 0.42
JAK2 O60674 2/20 0.42
PTK2 Q05397 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 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
SCHEMBL10036402 0.86 DRD4 (0.48) DRD4HTR4ACHERAD52GFER
SCHEMBL520958 0.83 DRD4 (0.47) DRD4RAD52DRD2ALDH1A1TLR9
SCHEMBL4185437 0.83 DRD2 (0.63) DRD4DRD2MEN1KMT2AMAPK1
SCHEMBL10036181 0.82 DRD2 (0.51) DRD4HTR4ACHEDRD2CDK9
SCHEMBL13548465 0.81 DRD4 (0.43) DRD4HTR4ACHEDRD2CCNT1
SCHEMBL28094425 0.81 MEN1 (0.52) ALDH1A1MEN1KMT2A
SCHEMBL30496473 0.78 QDPR (0.52) DRD2MEN1KMT2AMAPK1
SCHEMBL282999 0.78 QDPR (0.52) DRD2MEN1KMT2AMAPK1
SCHEMBL2482489 0.78 RAD52 (0.42) DRD4RAD52GFERDRD2ALDH1A1
SCHEMBL2570589 0.78 MAPT (0.48) ALDH1A1MEN1KMT2AMAPK1

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 DRD4 2424/4885HTR4 2356/4885ACHE 4870/4885

“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.