SCHEMBL522010

SCHEMBL522010

C[S+]([O-])c1ncc2ccc(-c3ccccc3OCC(=O)O)n2n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.41
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTK2 Q05397 2/20 0.38
INSR P06213 4/20 0.37
ALK Q9UM73 4/20 0.37
NPM1 P06748 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 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
SCHEMBL520959 0.91 JAK2 (0.43) JAK2PTK2INSRALKNPM1
SCHEMBL521390 0.89 JAK2 (0.42) JAK2POLBSMN1; SMN2PTK2INSR
SCHEMBL522059 0.87 ALK (0.38) JAK2PTK2INSRALKNPM1
SCHEMBL521204 0.85 JAK2 (0.44) JAK2INSRALKNPM1CYP3A4
SCHEMBL521355 0.80 JAK2 (0.43) JAK2INSRALKNPM1CYP3A4
SCHEMBL521369 0.79 ALK (0.41) JAK2POLBSMN1; SMN2PTK2INSR
SCHEMBL521474 0.76 EGLN2 (0.39) JAK2INSRALKNPM1CYP3A4
SCHEMBL521518 0.76 EGLN2 (0.39) JAK2INSRALKNPM1CYP3A4
SCHEMBL520262 0.76 JAK2 (0.46) JAK2PTK2INSRALKNPM1
SCHEMBL520662 0.75 INSR (0.44) JAK2POLBSMN1; SMN2PTK2INSR

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 1/4885FABP3 1988/4885FABP4 805/4885

“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.