SCHEMBL520643

SCHEMBL520643

COc1cc(C2CCN(CC(=O)OC(C)(C)C)CC2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.46
QDPR P09417 2/20 0.45
HTR4 Q13639 4/20 0.42
CCR5 P51681 2/20 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
HTR3A P46098 1/20 0.41
JAK2 O60674 1/20 0.40
INSR P06213 1/20 0.40
NPM1 P06748 1/20 0.40
PTK2 Q05397 1/20 0.40
ALK Q9UM73 1/20 0.40
APP P05067 1/20 0.39
CHEK1 O14757 1/20 0.38

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
SCHEMBL521610 0.86 PDE4B (0.51) PDE4BQDPRCHRM4CHRM3
SCHEMBL28368871 0.85 PDE4B (0.47) PDE4BQDPRHTR4CCR5CHRM4
SCHEMBL519815 0.85 ALK (0.51) PDE4BQDPRHTR4CCR5CHRM4
SCHEMBL310046 0.83 PDE4B (0.62) PDE4BQDPR
SCHEMBL30957975 0.83 PDE4B (0.62) PDE4BQDPR
SCHEMBL23551305 0.82 DRD4 (0.41) HTR4CCR5
SCHEMBL28209999 0.82 QDPR (0.49) PDE4BQDPRHTR4CCR5CHRM4
SCHEMBL520437 0.82 INSR (0.52) PDE4BQDPRCCR5INSRNPM1
SCHEMBL520850 0.82 MEN1 (0.50) PDE4BQDPRJAK2PTK2
SCHEMBL28364746 0.80 HTR4 (0.43) PDE4BQDPRHTR4CCR5CHRM4

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 PDE4B 2705/4885QDPR 807/4885HTR4 2356/4885

“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.