SCHEMBL520504

SCHEMBL520504

COc1ccc(-c2ccc3cnc([S+](C)[O-])nn23)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.48
ALK Q9UM73 7/20 0.43
INSR P06213 6/20 0.43
NPM1 P06748 4/20 0.43
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36

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
SCHEMBL520835 0.94 JAK2 (0.44) JAK2ALKINSRNPM1TSHR
SCHEMBL520853 0.92 JAK2 (0.42) JAK2ALKINSRNPM1TSHR
SCHEMBL521186 0.92 JAK2 (0.47) JAK2ALKINSRNPM1HSD17B10
SCHEMBL519194 0.85 JAK2 (0.55) JAK2ALKINSRNPM1CYP3A4
SCHEMBL519979 0.81 JAK2 (0.41) JAK2ALKINSRNPM1HSD17B10
SCHEMBL520783 0.81 JAK2 (0.52) JAK2ALKINSRNPM1TSHR
SCHEMBL520822 0.79 JAK2 (0.50) JAK2ALKINSRNPM1TSHR
SCHEMBL522559 0.75 JAK2 (0.44) JAK2ALKINSRNPM1CYP3A4
SCHEMBL519550 0.75 JAK2 (0.36) JAK2ALKINSRNPM1ALDH1A1
SCHEMBL521355 0.74 JAK2 (0.43) JAK2ALKINSRNPM1CYP3A4

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.