SCHEMBL522202

SCHEMBL522202

CN1CCN(c2ccc(Nc3ncc4ccc(Sc5ccncc5)n4n3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 9/20 0.60
INSR P06213 7/20 0.60
JAK2 O60674 6/20 0.55
CYP3A4 P08684 2/20 0.55
AURKA O14965 1/20 0.45
CDK4 P11802 1/20 0.45
IGF1R P08069 1/20 0.44
CDK2 P24941 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
ERBB3 P21860 2/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2C P18825 1/20 0.43
NPM1 P06748 1/20 0.42
EGFR P00533 2/20 0.42

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
SCHEMBL520133 0.91 ALK (0.70) ALKINSRJAK2CYP3A4ERBB3
SCHEMBL520704 0.89 INSR (0.59) ALKINSRJAK2CYP3A4IGF1R
SCHEMBL520673 0.80 ALK (0.58) ALKINSRJAK2CYP3A4AURKA
SCHEMBL520030 0.80 JAK2 (0.71) ALKINSRJAK2CYP3A4CDK4
SCHEMBL519466 0.80 INSR (0.69) ALKINSRJAK2CYP3A4IGF1R
SCHEMBL519959 0.79 ALK (0.69) ALKINSRJAK2CYP3A4IGF1R
SCHEMBL521853 0.78 ALK (0.68) ALKINSRJAK2CYP3A4ADRA2A
SCHEMBL519994 0.77 ALK (0.83) ALKINSRJAK2CYP3A4AURKA
SCHEMBL521257 0.77 ALK (0.81) ALKINSRJAK2CYP3A4NPM1
SCHEMBL520108 0.76 ALK (0.75) ALKINSRJAK2CYP3A4CDK4

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 1738/4885JAK2 1/4885

“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.