SCHEMBL520010

SCHEMBL520010

C[S+]([O-])c1ncc2ccc(-c3ccccc3O)n2n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.40
IDO1 P14902 3/20 0.38
JAK2 O60674 9/20 0.37
ALK Q9UM73 7/20 0.33
INSR P06213 4/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
NPM1 P06748 2/20 0.31

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
SCHEMBL521052 0.85 JAK2 (0.38) JAK2ALKINSRCYP3A4NPM1
SCHEMBL521474 0.84 EGLN2 (0.39) JAK2ALKINSRCYP3A4NPM1
SCHEMBL521518 0.84 EGLN2 (0.39) JAK2ALKINSRCYP3A4KDM4E
SCHEMBL519194 0.83 JAK2 (0.55) JAK2ALKINSRCYP3A4NPM1
SCHEMBL521369 0.83 ALK (0.41) JAK2ALKINSRALDH1A1HPGD
SCHEMBL520890 0.81 HSD11B1 (0.37) JAK2CYP3A4ALDH1A1
SCHEMBL520662 0.81 INSR (0.44) FYNJAK2ALKINSRCYP3A4
SCHEMBL521204 0.80 JAK2 (0.44) JAK2ALKINSRCYP3A4NPM1
SCHEMBL520246 0.80 ALK (0.51) JAK2ALKINSRCYP3A4NPM1
SCHEMBL521377 0.80 ABCG2 (0.41) FYNJAK2ALKINSRCYP3A4

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 FYN 195/4885IDO1 588/4885JAK2 1/4885

“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.