SCHEMBL520437

SCHEMBL520437

CNC(=O)CN1CCC(c2ccc(N)c(OC)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.52
NPM1 P06748 1/20 0.52
ALK Q9UM73 1/20 0.52
CCNT1 O60563 4/20 0.48
CDK9 P50750 4/20 0.48
TLR9 Q9NR96 8/20 0.47
TLR8 Q9NR97 8/20 0.47
TLR7 Q9NYK1 8/20 0.47
CCR5 P51681 1/20 0.47
PDE4B Q07343 1/20 0.47
QDPR P09417 2/20 0.46
DRD4 P21917 2/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL519815 0.87 ALK (0.51) INSRNPM1ALKCCNT1CDK9
SCHEMBL28209999 0.84 QDPR (0.49) CCR5PDE4BQDPRDRD2
SCHEMBL520850 0.84 MEN1 (0.50) CCNT1CDK9TLR9TLR8TLR7
SCHEMBL28368871 0.83 PDE4B (0.47) INSRNPM1ALKCCR5PDE4B
SCHEMBL520643 0.82 PDE4B (0.46) INSRNPM1ALKCCR5PDE4B
SCHEMBL520283 0.81 PDE4B (0.51) INSRNPM1ALKPDE4BQDPR
SCHEMBL16530506 0.81 QDPR (0.46) TLR9TLR8TLR7CCR5PDE4B
SCHEMBL3345349 0.81 QDPR (0.45) CCR5PDE4BQDPRDRD2
SCHEMBL20725583 0.80 QDPR (0.49) QDPRDRD2
SCHEMBL519694 0.79 QDPR (0.52) QDPRDRD2

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

“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.