SCHEMBL518914

SCHEMBL518914

CCCS(=O)(=O)Nc1cccc(-c2ccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nn23)c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.66
ALK Q9UM73 6/20 0.66
INSR P06213 6/20 0.66
BRD4 O60885 4/20 0.62
PTK2 Q05397 3/20 0.58
JAK3 P52333 2/20 0.58
CYP3A4 P08684 2/20 0.58
AURKA O14965 1/20 0.50
FLT1 P17948 1/20 0.50
KDR P35968 1/20 0.50
FLT3 P36888 1/20 0.50

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
SCHEMBL16530619 0.94 ALK (0.69) JAK2ALKINSRBRD4PTK2
SCHEMBL519790 0.92 INSR (0.65) JAK2ALKINSRBRD4PTK2
SCHEMBL520177 0.89 JAK2 (0.72) JAK2ALKINSRBRD4PTK2
SCHEMBL520299 0.87 ALK (0.68) JAK2ALKINSRBRD4PTK2
SCHEMBL16530449 0.86 INSR (0.68) JAK2ALKINSRBRD4PTK2
SCHEMBL519908 0.83 JAK2 (0.80) JAK2ALKINSRPTK2JAK3
SCHEMBL3469388 0.82 ALK (0.80) JAK2ALKINSRPTK2JAK3
SCHEMBL520367 0.82 JAK2 (0.83) JAK2ALKINSRPTK2JAK3
SCHEMBL521373 0.82 JAK2 (0.62) JAK2ALKINSRBRD4PTK2
SCHEMBL520258 0.81 ALK (0.78) JAK2ALKINSRPTK2JAK3

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 4 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-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
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 JAK2 1/4885ALK 2/4885INSR 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.