SCHEMBL520482

SCHEMBL520482

C[S+]([O-])c1ncc2ccc(-c3ccccc3C#N)n2n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.38
INSR P06213 2/20 0.38
NPM1 P06748 1/20 0.38
GABRA1 P14867 8/20 0.35
GABRG2 P18507 8/20 0.35
GABRB3 P28472 8/20 0.35
JAK2 O60674 6/20 0.35
GABRA2 P47869 4/20 0.35
GABRA3 P34903 6/20 0.33
GABRA5 P31644 3/20 0.33
IRAK4 Q9NWZ3 1/20 0.31
CYP3A4 P08684 1/20 0.31
PTGES O14684 1/20 0.31
IGF1R P08069 1/20 0.31
PDE10A Q9Y233 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 0.82 JAK2 (0.38) ALKINSRNPM1JAK2CYP3A4
SCHEMBL521518 0.81 EGLN2 (0.39) ALKINSRNPM1JAK2CYP3A4
SCHEMBL521474 0.81 EGLN2 (0.39) ALKINSRNPM1JAK2CYP3A4
SCHEMBL520010 0.81 FYN (0.40) ALKINSRNPM1JAK2CYP3A4
SCHEMBL519194 0.80 JAK2 (0.55) ALKINSRNPM1JAK2CYP3A4
SCHEMBL520890 0.78 HSD11B1 (0.37) JAK2CYP3A4
SCHEMBL520662 0.78 INSR (0.44) ALKINSRJAK2CYP3A4
SCHEMBL521115 0.78 ALK (0.41) ALKINSRNPM1GABRA1GABRG2
SCHEMBL520246 0.77 ALK (0.51) ALKINSRNPM1JAK2CYP3A4
SCHEMBL521204 0.77 JAK2 (0.44) ALKINSRNPM1JAK2CYP3A4

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 ALK 2/4885INSR 1738/4885NPM1 1309/4885

“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.