SCHEMBL520040

SCHEMBL520040

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2ccc(Br)n2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 17/20 0.63
INSR P06213 16/20 0.63
NPM1 P06748 4/20 0.63
IGF1R P08069 12/20 0.60
LRRK2 Q5S007 2/20 0.56
EGFR P00533 2/20 0.56
CHEK1 O14757 1/20 0.56
AURKA O14965 1/20 0.56
NUAK1 O60285 1/20 0.56
JAK2 O60674 1/20 0.56
STK10 O94804 1/20 0.56
PRKD3 O94806 1/20 0.56
SLC34A2 O95436 1/20 0.56
CHEK2 O96017 1/20 0.56
ABL1 P00519 1/20 0.56
CD74 P04233 1/20 0.56
ERBB2 P04626 1/20 0.56
LCK P06239 1/20 0.56
FYN P06241 1/20 0.56
FES P07332 1/20 0.56

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
SCHEMBL519520 0.92 ALK (0.73) ALKINSRNPM1IGF1REGFR
SCHEMBL520672 0.86 ALK (0.85) ALKINSRNPM1IGF1RLRRK2
SCHEMBL520352 0.84 INSR (0.64) ALKINSRNPM1IGF1RLRRK2
SCHEMBL520718 0.84 ALK (0.63) ALKINSRNPM1IGF1RLRRK2
SCHEMBL519890 0.84 ALK (0.80) ALKINSRNPM1IGF1RLRRK2
SCHEMBL518909 0.83 ALK (0.85) ALKINSRNPM1IGF1RLRRK2
SCHEMBL18912630 0.82 INSR (0.68) ALKINSRIGF1RLRRK2EGFR
SCHEMBL521341 0.82 ALK (0.72) ALKINSRNPM1IGF1RLRRK2
SCHEMBL15244473 0.81 INSR (0.68) ALKINSRNPM1IGF1RLRRK2
SCHEMBL26087590 0.81 ALK (0.73) ALKINSRIGF1RLRRK2EGFR

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.