SCHEMBL520244

SCHEMBL520244

CN1CCN(c2ccc(Nc3ncc4c(-c5ccc(F)cc5)ccn4n3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.53
EGFR P00533 1/20 0.52
JAK2 O60674 10/20 0.51
JAK3 P52333 8/20 0.51
PTK2 Q05397 8/20 0.51
INSR P06213 2/20 0.48
ALK Q9UM73 2/20 0.48
JAK1 P23458 1/20 0.48
MAPKAPK2 P49137 1/20 0.48
CYP3A4 P08684 1/20 0.47
RPS6KA3 P51812 1/20 0.47
MEN1 O00255 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
STAT6 P42226 1/20 0.46
MAP4K1 Q92918 1/20 0.46

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
SCHEMBL519531 0.90 ALK (0.60) CDK4EGFRJAK2JAK3PTK2
SCHEMBL520236 0.88 FYN (0.54) CDK4JAK2JAK3PTK2INSR
SCHEMBL520475 0.88 JAK2 (0.53) CDK4EGFRJAK2JAK3PTK2
SCHEMBL521466 0.83 BTK (0.43) CDK4JAK2JAK3PTK2MAP4K1
SCHEMBL520471 0.81 JAK2 (0.67) CDK4JAK2JAK3PTK2INSR
SCHEMBL520135 0.81 JAK2 (0.57) CDK4EGFRJAK2JAK3PTK2
SCHEMBL519267 0.81 ALK (0.56) CDK4JAK2JAK3PTK2INSR
SCHEMBL520647 0.74 PRKAA2 (0.45) CDK4JAK1
SCHEMBL29575814 0.70 MAP4K1 (0.71) CDK4EGFRALKRPS6KA3STAT6
SCHEMBL4463266 0.69 CDK4 (1.00) CDK4EGFRJAK2

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 CDK4 31/4885EGFR 1187/4885JAK2 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.