SCHEMBL520959

SCHEMBL520959

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.43
PTK2 Q05397 2/20 0.43
ALK Q9UM73 8/20 0.42
INSR P06213 6/20 0.42
NPM1 P06748 4/20 0.42
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
KCNN4 O15554 1/20 0.36
ADORA1 P30542 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
SCHEMBL521390 0.88 JAK2 (0.42) JAK2PTK2ALKINSRNPM1
SCHEMBL522059 0.86 ALK (0.38) JAK2PTK2ALKINSRNPM1
SCHEMBL521204 0.85 JAK2 (0.44) JAK2ALKINSRNPM1CYP3A4
SCHEMBL519194 0.83 JAK2 (0.55) JAK2ALKINSRNPM1CYP3A4
SCHEMBL522559 0.82 JAK2 (0.44) JAK2ALKINSRNPM1CYP3A4
SCHEMBL521355 0.79 JAK2 (0.43) JAK2ALKINSRNPM1CYP3A4
SCHEMBL521834 0.78 JAK2 (0.43) JAK2ALKINSRNPM1CYP3A4
SCHEMBL521369 0.78 ALK (0.41) JAK2PTK2ALKINSRNPM1
SCHEMBL521052 0.76 JAK2 (0.38) JAK2PTK2ALKINSRNPM1
SCHEMBL521518 0.75 EGLN2 (0.39) JAK2ALKINSRNPM1KDM4E

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 3 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

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 1/4885PTK2 592/4885ALK 2/4885

“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.