SCHEMBL521279

SCHEMBL521279

COc1cc(N2CCC(N3CCOCC3)CC2)ccc1Nc1ncc2ccc(-c3cccc(CCC#N)c3)n2n1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 10/20 0.60
INSR P06213 9/20 0.60
NPM1 P06748 7/20 0.60
JAK2 O60674 2/20 0.48
TTK P33981 2/20 0.47
IGF1R P08069 2/20 0.46
EGFR P00533 2/20 0.45
CAMK2D Q13557 1/20 0.44
AURKA O14965 1/20 0.44
KIT P10721 1/20 0.44
FLT3 P36888 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44

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
SCHEMBL521192 0.89 INSR (0.58) ALKINSRNPM1JAK2
SCHEMBL16530397 0.87 ALK (0.62) ALKINSRNPM1JAK2TTK
SCHEMBL521467 0.84 ALK (0.67) ALKINSRNPM1JAK2TTK
SCHEMBL16531165 0.84 ALK (0.70) ALKINSRNPM1JAK2TTK
SCHEMBL2527113 0.83 ALK (0.67) ALKINSRNPM1JAK2TTK
SCHEMBL520392 0.82 ALK (0.71) ALKINSRNPM1JAK2IGF1R
SCHEMBL519561 0.82 ALK (0.81) ALKINSRNPM1JAK2IGF1R
SCHEMBL521433 0.82 ALK (0.72) ALKINSRNPM1JAK2TTK
SCHEMBL521711 0.81 ALK (0.77) ALKINSRNPM1JAK2TTK
SCHEMBL521766 0.81 INSR (0.68) ALKINSRNPM1JAK2

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 10 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-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP claimed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO 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
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.