SCHEMBL521518

SCHEMBL521518

C[S+]([O-])c1ncc2ccc(-c3ccccc3Cl)n2n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.39
JAK2 O60674 9/20 0.37
PIM1 P11309 3/20 0.33
PIM2 Q9P1W9 2/20 0.33
ALK Q9UM73 5/20 0.33
INSR P06213 3/20 0.33
CYP3A4 P08684 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD11B1 P28845 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPM1 P06748 1/20 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
SCHEMBL520010 0.84 FYN (0.40) JAK2ALKINSRCYP3A4KDM4E
SCHEMBL521474 0.84 EGLN2 (0.39) EGLN2JAK2PIM1PIM2ALK
SCHEMBL519194 0.83 JAK2 (0.55) JAK2ALKINSRCYP3A4NPM1
SCHEMBL520890 0.81 HSD11B1 (0.37) JAK2CYP3A4ALDH1A1HSD11B1CYP1A2
SCHEMBL520482 0.81 ALK (0.38) JAK2ALKINSRCYP3A4NPM1
SCHEMBL520662 0.81 INSR (0.44) EGLN2JAK2PIM1ALKINSR
SCHEMBL520246 0.80 ALK (0.51) JAK2ALKINSRCYP3A4HSD11B1
SCHEMBL521204 0.80 JAK2 (0.44) JAK2ALKINSRCYP3A4NPM1
SCHEMBL521369 0.80 ALK (0.41) JAK2PIM1ALKINSRALDH1A1

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 EGLN2 928/4885JAK2 1/4885PIM1 68/4885

“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.