SCHEMBL520628

SCHEMBL520628

COc1cc(Cl)ccc1-c1ccc2cnc(SC)nn12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.42
ALK Q9UM73 9/20 0.39
INSR P06213 7/20 0.39
PTK2 Q05397 1/20 0.39
NPM1 P06748 6/20 0.39
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35

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
SCHEMBL519245 0.92 JAK2 (0.42) JAK2ALKINSRPTK2NPM1
SCHEMBL520822 0.87 JAK2 (0.50) JAK2ALKINSRPTK2NPM1
SCHEMBL520199 0.86 JAK2 (0.44) JAK2ALKINSRPTK2NPM1
Acetic Acid SCHEMBL519429 0.85 ALDH1A1 (0.41) JAK2ALKINSRPTK2NPM1
Acetic Acid SCHEMBL519430 0.84 MAPT (0.39) JAK2ALKINSRPTK2NPM1
SCHEMBL520446 0.84 JAK2 (0.57) JAK2ALKINSRPTK2NPM1
SCHEMBL519550 0.82 JAK2 (0.36) JAK2ALKINSRPTK2NPM1
SCHEMBL520454 0.81 JAK2 (0.45) JAK2ALKINSRPTK2NPM1
SCHEMBL521930 0.81 JAK2 (0.48) JAK2ALKINSRPTK2NPM1
SCHEMBL520046 0.79 JAK2 (0.40) JAK2ALKINSRPTK2NPM1

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 1/4885ALK 2/4885INSR 1738/4885

“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.