SCHEMBL519923

SCHEMBL519923

Brc1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nn12

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
INSR P06213 4/20 0.69
JAK2 O60674 4/20 0.61
IGF1R P08069 8/20 0.54
ALK Q9UM73 4/20 0.53
SYK P43405 1/20 0.52
CYP3A4 P08684 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
AURKA O14965 1/20 0.47
CDK4 P11802 1/20 0.47
PLK4 O00444 1/20 0.46

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
SCHEMBL519830 0.88 JAK2 (0.66) INSRJAK2IGF1RCDK4PLK4
SCHEMBL520616 0.87 INSR (0.53) INSRJAK2IGF1RALKCYP3A4
SCHEMBL519959 0.87 ALK (0.69) INSRJAK2IGF1RALKCYP3A4
SCHEMBL519464 0.82 INSR (0.65) INSRJAK2IGF1RALKSYK
SCHEMBL519255 0.82 ALK (0.53) INSRJAK2ALKSYKCYP3A4
SCHEMBL520176 0.81 INSR (1.00) INSRJAK2IGF1RALKCYP3A4
SCHEMBL519278 0.81 INSR (0.82) INSRJAK2IGF1RALKSYK
SCHEMBL520237 0.80 INSR (0.61) INSRJAK2IGF1RALKSYK
SCHEMBL520723 0.79 JAK2 (0.59) INSRJAK2IGF1RALKCDK4
SCHEMBL519656 0.79 INSR (0.69) INSRJAK2IGF1RALKSYK

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 INSR 1738/4885JAK2 1/4885IGF1R 1028/4885

“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.