SCHEMBL520837

SCHEMBL520837

CN1CCN(C(=O)c2ccc(Nc3ncc4ccc(-c5cccnc5)n4n3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.59
INSR P06213 7/20 0.59
JAK2 O60674 9/20 0.56
CYP3A4 P08684 2/20 0.48
CES2 O00748 1/20 0.47
CDK2 P24941 3/20 0.46
CDK1 P06493 2/20 0.46
CCNE2 O96020 1/20 0.45
CCNE1 P24864 1/20 0.45
GSK3B P49841 1/20 0.45
ABL1 P00519 1/20 0.45
BCR P11274 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
SCHEMBL519764 0.90 INSR (0.52) ALKINSRJAK2CDK2CDK1
SCHEMBL520166 0.89 JAK2 (0.68) ALKINSRJAK2CES2
SCHEMBL519317 0.86 ALK (0.56) ALKINSRJAK2CYP3A4ABL1
SCHEMBL520674 0.85 JAK2 (0.73) ALKINSRJAK2CYP3A4CDK2
SCHEMBL519994 0.84 ALK (0.83) ALKINSRJAK2CYP3A4
SCHEMBL520483 0.82 JAK2 (0.82) ALKINSRJAK2CYP3A4
SCHEMBL521291 0.81 JAK2 (0.78) ALKINSRJAK2
SCHEMBL520021 0.80 INSR (0.68) ALKINSRJAK2CYP3A4
SCHEMBL521674 0.80 INSR (0.59) ALKINSRJAK2
SCHEMBL519416 0.79 ALK (0.68) ALKINSRJAK2CYP3A4

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 ALK 2/4885INSR 1738/4885JAK2 1/4885

“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.