SCHEMBL520236

SCHEMBL520236

CN1CCN(c2ccc(Nc3ncc4c(-c5cccc(F)c5)ccn4n3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.54
NTRK1 P04629 1/20 0.51
FGFR4 P22455 2/20 0.51
INSR P06213 2/20 0.50
ALK Q9UM73 2/20 0.50
CDK4 P11802 1/20 0.50
CCND1 P24385 1/20 0.50
JAK2 O60674 11/20 0.49
JAK3 P52333 7/20 0.49
PTK2 Q05397 7/20 0.49
BRD4 O60885 3/20 0.48
MAP4K1 Q92918 1/20 0.48
STAT6 P42226 1/20 0.46
CYP3A4 P08684 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
SCHEMBL520244 0.88 CDK4 (0.53) INSRALKCDK4JAK2JAK3
SCHEMBL519531 0.88 ALK (0.60) FGFR4INSRALKCDK4CCND1
SCHEMBL520135 0.87 JAK2 (0.57) FGFR4INSRALKCDK4JAK2
SCHEMBL520475 0.81 JAK2 (0.53) FGFR4INSRALKCDK4JAK2
SCHEMBL519267 0.80 ALK (0.56) FGFR4INSRALKCDK4JAK2
SCHEMBL520471 0.78 JAK2 (0.67) FGFR4INSRALKCDK4CCND1
SCHEMBL521466 0.74 BTK (0.43) CDK4JAK2JAK3PTK2MAP4K1
SCHEMBL3211601 0.72 JAK2 (0.76) FYNNTRK1INSRALKCDK4
SCHEMBL11303912 0.71 FYN (0.54) FYNNTRK1FGFR4CDK4CCND1
SCHEMBL18613212 0.70 FYN (1.00) FYNNTRK1FGFR4CDK4CCND1

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 8 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

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 FYN 195/4885NTRK1 1464/4885FGFR4 37/4885

“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.