SCHEMBL520351

SCHEMBL520351

O=C(c1ccccc1)c1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nn12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 6/20 0.68
JAK2 O60674 5/20 0.59
ALK Q9UM73 5/20 0.53
IGF1R P08069 2/20 0.49
STAT6 P42226 1/20 0.48
CYP3A4 P08684 1/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PLK4 O00444 1/20 0.47
MAPK8 P45983 2/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
SYK P43405 1/20 0.46
AURKA O14965 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
EGFR P00533 1/20 0.46
PTK2 Q05397 1/20 0.45

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
SCHEMBL520176 0.81 INSR (1.00) INSRJAK2ALKIGF1RCYP3A4
SCHEMBL519482 0.80 INSR (0.78) INSRJAK2ALKCYP3A4HDAC3
SCHEMBL519573 0.80 INSR (0.68) INSRJAK2ALKIGF1RSTAT6
SCHEMBL519732 0.79 INSR (0.67) INSRJAK2ALKIGF1RCYP3A4
SCHEMBL519656 0.78 INSR (0.69) INSRJAK2ALKIGF1RSTAT6
SCHEMBL519466 0.78 INSR (0.69) INSRJAK2ALKIGF1RSTAT6
SCHEMBL3467107 0.78 INSR (0.71) INSRJAK2ALKSTAT6CYP3A4
SCHEMBL519923 0.78 INSR (0.69) INSRJAK2ALKIGF1RCYP3A4
SCHEMBL520737 0.78 JAK2 (0.72) INSRJAK2ALKIGF1RCYP3A4
SCHEMBL518814 0.78 INSR (0.82) INSRJAK2ALKSTAT6CYP3A4

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.