SCHEMBL519653

SCHEMBL519653

COc1cc(N2CCN(CC(C)O)CC2)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
INSR P06213 2/20 0.48
NPM1 P06748 2/20 0.48
ALK Q9UM73 2/20 0.48
GAA P10253 1/20 0.46
RAD52 P43351 1/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ATM Q13315 1/20 0.45
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
IGF1R P08069 2/20 0.44
JAK2 O60674 2/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42

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
SCHEMBL519652 1.00 INSR (0.48) INSRNPM1ALKGAARAD52
SCHEMBL519957 1.00 INSR (0.48) INSRNPM1ALKGAARAD52
SCHEMBL2483883 0.95 INSR (0.45) INSRNPM1ALKGAARAD52
SCHEMBL520419 0.95 INSR (0.45) INSRNPM1ALKGAARAD52
SCHEMBL2207628 0.90 GAA (0.47) INSRNPM1ALKGAARAD52
SCHEMBL520281 0.88 ADRA2A (0.53) MAPTMEN1KMT2AATMTP53
SCHEMBL520934 0.88 ADRA2A (0.53) MAPTMEN1KMT2AATMTP53
SCHEMBL520282 0.88 ADRA2A (0.53) MAPTMEN1KMT2AATMTP53
SCHEMBL520411 0.84 ADRA2A (0.49) MAPTMEN1KMT2AATMTP53
SCHEMBL15358736 0.84 ALDH1A1 (0.53) GAARAD52MAPTMEN1KMT2A

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.