SCHEMBL519785

SCHEMBL519785

Cn1cc(-c2ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nn23)cn1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
INSR P06213 6/20 0.74
JAK2 O60674 7/20 0.64
ALK Q9UM73 6/20 0.64
CYP3A4 P08684 2/20 0.54
TTK P33981 1/20 0.52
MAPK10 P53779 7/20 0.52
JUN P05412 5/20 0.50
MAPK8 P45983 2/20 0.50
MAPK9 P45984 1/20 0.50
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48

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
SCHEMBL521681 0.91 INSR (0.62) INSRJAK2ALKCYP3A4TTK
SCHEMBL519692 0.91 ALK (0.77) INSRJAK2ALKCYP3A4TTK
SCHEMBL520137 0.89 JAK2 (0.68) INSRJAK2ALKCYP3A4MAPK10
SCHEMBL522001 0.85 ALK (0.61) INSRJAK2ALKCYP3A4
SCHEMBL520176 0.85 INSR (1.00) INSRJAK2ALKCYP3A4
SCHEMBL521763 0.84 INSR (0.69) INSRJAK2ALKCYP3A4MAPK10
SCHEMBL519278 0.84 INSR (0.82) INSRJAK2ALKCYP3A4
SCHEMBL531106 0.83 ALK (0.56) INSRJAK2ALKCYP3A4
SCHEMBL519702 0.82 INSR (0.82) INSRJAK2ALKCYP3A4MAPK10
SCHEMBL521813 0.82 INSR (0.66) INSRJAK2ALKCYP3A4TTK

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 10 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
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US claimed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US claimed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP claimed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO 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 INSR 1738/4885JAK2 1/4885ALK 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.