SCHEMBL520111

SCHEMBL520111

COc1cc(C2CCN(C[C@H](O[Si](C)(C)C(C)(C)C)C(F)(F)F)CC2)ccc1N

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.36
NPM1 P06748 3/20 0.36
ALK Q9UM73 3/20 0.36
QDPR P09417 2/20 0.36
KCNH2 Q12809 4/20 0.36
TLR9 Q9NR96 4/20 0.35
TLR8 Q9NR97 4/20 0.35
TLR7 Q9NYK1 4/20 0.35
INSR P06213 2/20 0.35
CARM1 Q86X55 1/20 0.34
SLC18A3 Q16572 1/20 0.34
HRH1 P35367 1/20 0.34
CCR3 P51677 1/20 0.34
CAMK2D Q13557 1/20 0.34
HTR2A P28223 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL15048625 1.00 TAAR1 (0.36) TAAR1NPM1ALKQDPRKCNH2
SCHEMBL521058 0.81 TAAR1 (0.50) TAAR1NPM1ALKQDPRKCNH2
SCHEMBL521057 0.81 TAAR1 (0.50) TAAR1NPM1ALKQDPRKCNH2
SCHEMBL310493 0.77 QDPR (0.46) NPM1ALKQDPRKCNH2TLR9
SCHEMBL520766 0.77 NPM1 (0.49) NPM1ALKQDPRKCNH2TLR9
SCHEMBL520767 0.77 NPM1 (0.49) NPM1ALKQDPRKCNH2TLR9
SCHEMBL520128 0.74 NPM1 (0.50) NPM1ALKQDPRKCNH2TLR9
SCHEMBL520129 0.74 NPM1 (0.50) NPM1ALKQDPRKCNH2TLR9
SCHEMBL2226718 0.74 CAMK2D (0.49) QDPRKCNH2TLR9TLR8TLR7
SCHEMBL20725583 0.73 QDPR (0.49) QDPRKCNH2

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 TAAR1 1863/4885NPM1 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.