SCHEMBL521130

SCHEMBL521130

CC(=O)Nc1cccc(Nc2ncc3ccc(-c4cccc(NC(=O)C(C)(C)C)c4)n3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 2/20 0.52
CCNT1 O60563 2/20 0.52
CCNA2 P20248 2/20 0.52
CDK2 P24941 2/20 0.52
CDK9 P50750 2/20 0.52
CDK5 Q00535 2/20 0.52
DYRK1A Q13627 2/20 0.52
CDK5R1 Q15078 2/20 0.52
DYRK2 Q92630 2/20 0.52
DYRK1B Q9Y463 2/20 0.52
FYN P06241 10/20 0.48
SYK P43405 2/20 0.46
JAK2 O60674 5/20 0.46
PTK2 Q05397 2/20 0.46
INSR P06213 1/20 0.46
ALK Q9UM73 1/20 0.46
MAP3K5 Q99683 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
SCHEMBL520385 0.86 JAK2 (0.60) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL521425 0.85 FYN (0.50) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL522818 0.84 JAK2 (0.46) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL521509 0.84 JAK2 (0.65) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL521661 0.83 JAK2 (0.47) JAK2PTK2INSRALK
SCHEMBL521868 0.83 INSR (0.49) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL521743 0.82 JAK2 (0.49) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL521626 0.82 EGFR (0.49) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL520639 0.80 KDM4E (0.46) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL522375 0.79 JAK2 (0.48) DYRK3CCNT1CCNA2CDK2CDK9

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 DYRK3 1684/4885CCNT1 72/4885CCNA2 407/4885

“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.