SCHEMBL519907

SCHEMBL519907

CN1CCN(c2ccc(Nc3ncc4cc5ccccc5n4n3)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.64
INSR P06213 6/20 0.64
JAK2 O60674 5/20 0.59
CYP3A4 P08684 2/20 0.59
MAP4K1 Q92918 1/20 0.53
EGFR P00533 4/20 0.53
CCND3 P30281 2/20 0.52
CDK4 P11802 1/20 0.52
CCND1 P24385 1/20 0.52
CCND2 P30279 1/20 0.52
CCNK O75909 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CDK9 P50750 1/20 0.50
CDK6 Q00534 1/20 0.50
MKNK1 Q9BUB5 1/20 0.49
FLT3 P36888 1/20 0.48

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
SCHEMBL519945 0.90 ALK (0.54) ALKINSRJAK2CYP3A4EGFR
SCHEMBL518628 0.88 INSR (0.64) ALKINSRJAK2CCND3CCNK
SCHEMBL519778 0.83 ALK (0.70) ALKINSRJAK2CYP3A4EGFR
SCHEMBL519559 0.81 PLK1 (0.52) ALKINSRJAK2CYP3A4CCND3
SCHEMBL520108 0.79 ALK (0.75) ALKINSRJAK2CYP3A4MAP4K1
SCHEMBL521449 0.79 ALK (0.71) ALKINSRJAK2CYP3A4MAP4K1
SCHEMBL519515 0.78 PLK1 (0.58) ALKINSRJAK2CYP3A4EGFR
SCHEMBL519479 0.78 ALK (1.00) ALKINSRJAK2CYP3A4MAP4K1
SCHEMBL520155 0.78 ALK (0.75) ALKINSRJAK2CYP3A4MAP4K1
SCHEMBL519959 0.77 ALK (0.69) ALKINSRJAK2CYP3A4EGFR

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.