SCHEMBL520130

SCHEMBL520130

COc1ccc(-c2ccc3cnc(Nc4ccc(OCCN5CCOCC5)cc4)nn23)cn1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.66
PTK2 Q05397 4/20 0.56
INSR P06213 4/20 0.51
ALK Q9UM73 3/20 0.49
CDK1 P06493 1/20 0.46
KDR P35968 1/20 0.46
CYP3A4 P08684 1/20 0.45
CFTR P13569 1/20 0.45
JAK3 P52333 3/20 0.44
CD274 Q9NZQ7 1/20 0.43

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
SCHEMBL518789 0.85 INSR (0.58) JAK2PTK2INSRALKCDK1
SCHEMBL521440 0.85 JAK2 (0.82) JAK2PTK2INSRALKCYP3A4
SCHEMBL521241 0.85 JAK2 (0.61) JAK2PTK2INSRALKCYP3A4
SCHEMBL519893 0.84 JAK2 (0.73) JAK2PTK2INSRALKCYP3A4
SCHEMBL520553 0.81 JAK2 (0.63) JAK2PTK2INSRALKCYP3A4
SCHEMBL521724 0.80 JAK2 (0.72) JAK2PTK2INSRALKCFTR
SCHEMBL521359 0.80 JAK2 (0.80) JAK2PTK2INSRALKCYP3A4
SCHEMBL520678 0.79 JAK2 (1.00) JAK2PTK2INSRALKCYP3A4
SCHEMBL522008 0.79 JAK2 (0.75) JAK2PTK2INSRALKCYP3A4
SCHEMBL13605384 0.79 KDR (0.55) JAK2PTK2CDK1KDRJAK3

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 6 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 claimed
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 1/4885PTK2 592/4885INSR 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.