SCHEMBL520344

SCHEMBL520344

C[S+]([O-])c1ncc2ccc(-c3cccc(C=O)c3)n2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.45
DYRK2 Q92630 5/20 0.45
DYRK1B Q9Y463 5/20 0.45
DYRK3 O43781 4/20 0.45
CCNT1 O60563 3/20 0.45
CDK9 P50750 3/20 0.45
CDK5 Q00535 3/20 0.45
CDK5R1 Q15078 3/20 0.45
CDK8 P49336 1/20 0.34
BRD4 O60885 1/20 0.34
JAK2 O60674 3/20 0.34
INSR P06213 2/20 0.34
ALK Q9UM73 2/20 0.34
PTK2 Q05397 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL3470162 0.83 CDK9 (0.42) DYRK1ADYRK2DYRK1BDYRK3CCNT1
SCHEMBL520662 0.81 INSR (0.44) DYRK1ADYRK1BCDK9CDK8JAK2
SCHEMBL520240 0.81 KCNH2 (0.48) DYRK1ADYRK2DYRK1BDYRK3CCNT1
SCHEMBL521544 0.77 JAK2 (0.47) BRD4JAK2INSRALKPTK2
SCHEMBL519903 0.76 JAK2 (0.41) BRD4JAK2INSRALKPTK2
SCHEMBL521326 0.76 KDM4E (0.45) DYRK1ADYRK2DYRK1BDYRK3CCNT1
SCHEMBL520885 0.75 MEN1 (0.39) JAK2INSRALKPTK2
SCHEMBL519850 0.74 JAK2 (0.38) JAK2INSRALKPTK2
SCHEMBL521225 0.74 POLB (0.36) CDK8JAK2INSRALKPTK2
SCHEMBL522076 0.74 JAK2 (0.41) JAK2PTK2

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 DYRK1A 1395/4885DYRK2 1032/4885DYRK1B 1348/4885

“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.