SCHEMBL519520

SCHEMBL519520

COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2ccc(Br)n2n1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 12/20 0.73
INSR P06213 9/20 0.73
NPM1 P06748 7/20 0.73
JAK2 O60674 2/20 0.55
CYP3A4 P08684 1/20 0.55
IGF1R P08069 4/20 0.53
EGFR P00533 3/20 0.52
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
PLK1 P53350 1/20 0.51
CCNA1 P78396 1/20 0.51
PLK3 Q9H4B4 1/20 0.51
PLK2 Q9NYY3 1/20 0.51

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
SCHEMBL520040 0.92 ALK (0.63) ALKINSRNPM1JAK2IGF1R
SCHEMBL520164 0.85 ALK (1.00) ALKINSRNPM1JAK2CYP3A4
SCHEMBL520185 0.82 JAK2 (0.76) ALKINSRNPM1JAK2CYP3A4
SCHEMBL519955 0.82 ALK (0.93) ALKINSRNPM1JAK2CYP3A4
SCHEMBL519778 0.82 ALK (0.70) ALKINSRNPM1JAK2CYP3A4
SCHEMBL519513 0.81 ALK (0.82) ALKINSRNPM1JAK2CYP3A4
SCHEMBL519959 0.81 ALK (0.69) ALKINSRNPM1JAK2CYP3A4
SCHEMBL519603 0.80 ALK (0.70) ALKINSRNPM1JAK2CYP3A4
SCHEMBL520484 0.80 ALK (0.69) ALKINSRNPM1JAK2CYP3A4
SCHEMBL520611 0.79 JAK2 (0.67) ALKINSRNPM1JAK2CYP3A4

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 ALK 2/4885INSR 1738/4885NPM1 1309/4885

“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.