SCHEMBL521235

SCHEMBL521235

COc1cc(N2CCN(C3CCOCC3)CC2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.44
AOC3 Q16853 2/20 0.44
LGMN Q99538 3/20 0.43
JAK2 O60674 1/20 0.43
KHK P50053 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
IGF1R P08069 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
GAK O14976 1/20 0.40
KIT P10721 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40

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
SCHEMBL30340719 0.91 KHK (0.46) KHKKDM4EALDH1A1TSHRMEN1
SCHEMBL310378 0.90 CHEK1 (0.47) CHEK1AOC3LGMNJAK2MEN1
SCHEMBL24904213 0.87 TTK (0.44) CHEK1LGMNJAK2KHKKDM4E
SCHEMBL3541067 0.87 TSHR (0.49) KHKALDH1A1TSHRTLR9TLR7
SCHEMBL10205071 0.87 L3MBTL3 (0.46) KHKKDM4EALDH1A1TSHRIGF1R
SCHEMBL29517345 0.86 ALDH1A1 (0.50) KHKKDM4EALDH1A1TSHRIGF1R
SCHEMBL519761 0.86 ALDH1A1 (0.50) KHKKDM4EALDH1A1TSHRIGF1R
SCHEMBL519900 0.85 L3MBTL3 (0.48) CHEK1AOC3LGMNJAK2ALDH1A1
SCHEMBL14180584 0.84 LRRK2 (0.48) AOC3KDM4EALDH1A1IGF1R
SCHEMBL223337 0.83 LGMN (0.61) CHEK1LGMNJAK2KDM4EALDH1A1

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 7 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
US-7371753-B2 Dihydropteridinones, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-13 US disclosed
US-7371753-B2 Dihydropteridinones, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-13 US 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 CHEK1 1646/4885AOC3 3857/4885LGMN 4884/4885

“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.