SCHEMBL526116

SCHEMBL526116

CC(=O)Nc1cc(Nc2ncc3ccc(-c4cnn(C)c4)n3n2)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.48
JAK2 O60674 8/20 0.46
INSR P06213 5/20 0.42
ALK Q9UM73 4/20 0.42
PTK2 Q05397 1/20 0.39
CCNT1 O60563 3/20 0.39
CCNB2 O95067 3/20 0.39
CCNE2 O96020 3/20 0.39
CDK1 P06493 3/20 0.39
CCNB1 P14635 3/20 0.39
CCNE1 P24864 3/20 0.39
CDK2 P24941 3/20 0.39
CDK9 P50750 3/20 0.39
CDK5 Q00535 3/20 0.39
CDK5R1 Q15078 3/20 0.39
CCNB3 Q8WWL7 3/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39

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
SCHEMBL521280 0.88 EGFR (0.47) EGFRJAK2INSRALKPTK2
SCHEMBL521626 0.85 EGFR (0.49) EGFRJAK2INSRALKPTK2
SCHEMBL520873 0.78 JAK2 (0.68) JAK2INSRALKPTK2
SCHEMBL520865 0.77 EGFR (0.44) EGFRJAK2INSRALKPTK2
SCHEMBL520825 0.77 EGFR (0.47) EGFRJAK2INSRALKPTK2
SCHEMBL521334 0.77 EGFR (0.49) EGFRJAK2INSRALK
SCHEMBL520116 0.76 FGFR1 (0.52) EGFRJAK2INSRALKPTK2
SCHEMBL520720 0.75 EGFR (0.44) EGFRJAK2INSRALKPTK2
SCHEMBL519295 0.74 JAK2 (0.48) EGFRJAK2INSRALKPTK2
SCHEMBL520794 0.74 DYRK3 (0.47) EGFRJAK2INSRALKPTK2

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 6 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-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

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 EGFR 1187/4885JAK2 1/4885INSR 1738/4885

“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.