SCHEMBL522337

SCHEMBL522337

COc1cccnc1-c1ccc2cnc(SC)nn12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.46
PTK2 Q05397 2/20 0.46
ALK Q9UM73 8/20 0.45
INSR P06213 6/20 0.40
CYP3A4 P08684 1/20 0.36
NPM1 P06748 4/20 0.36
MAOB P27338 1/20 0.35
FYN P06241 1/20 0.34
ALPL P05186 1/20 0.33
DYRK3 O43781 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK2 Q92630 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
SCHEMBL520446 0.83 JAK2 (0.57) JAK2PTK2ALKINSRCYP3A4
SCHEMBL520750 0.82 JAK2 (0.47) JAK2PTK2ALKINSRCYP3A4
SCHEMBL521921 0.79 JAK2 (0.47) JAK2PTK2ALKINSRCYP3A4
SCHEMBL521646 0.78 JAK2 (0.38) JAK2PTK2ALKINSRDYRK3
SCHEMBL520751 0.78 JAK2 (0.39) JAK2PTK2ALKINSRCYP3A4
SCHEMBL520199 0.76 JAK2 (0.44) JAK2PTK2ALKINSRCYP3A4
SCHEMBL521930 0.75 JAK2 (0.48) JAK2PTK2ALKINSRCYP3A4
SCHEMBL521927 0.75 LMNA (0.41) JAK2PTK2ALKINSR
SCHEMBL520822 0.74 JAK2 (0.50) JAK2PTK2ALKINSRCYP3A4
SCHEMBL519245 0.74 JAK2 (0.42) JAK2PTK2ALKINSRCYP3A4

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 JAK2 1/4885PTK2 592/4885ALK 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.