SCHEMBL519267

SCHEMBL519267

CN1CCN(c2ccc(Nc3ncc4c(-c5ccccc5Cl)ccn4n3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.56
FGFR4 P22455 3/20 0.52
CCNK O75909 2/20 0.52
CCNA2 P20248 2/20 0.52
CDK2 P24941 2/20 0.52
CCND3 P30281 2/20 0.52
CDK9 P50750 2/20 0.52
CDK6 Q00534 2/20 0.52
LCK P06239 1/20 0.52
MAPK14 Q16539 1/20 0.52
JAK2 O60674 4/20 0.51
INSR P06213 3/20 0.51
CYP3A4 P08684 1/20 0.51
WEE1 P30291 4/20 0.49
JAK3 P52333 3/20 0.49
PTK2 Q05397 3/20 0.49
KCNH2 Q12809 1/20 0.49
FGFR1 P11362 1/20 0.49
SRC P12931 1/20 0.49
FGFR2 P21802 1/20 0.49

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 0.87 ALK (0.60) ALKFGFR4CCND3JAK2INSR
SCHEMBL520471 0.86 JAK2 (0.67) ALKFGFR4CDK2LCKMAPK14
SCHEMBL520244 0.81 CDK4 (0.53) ALKJAK2INSRCYP3A4JAK3
SCHEMBL520236 0.80 FYN (0.54) ALKFGFR4JAK2INSRCYP3A4
SCHEMBL520475 0.79 JAK2 (0.53) ALKFGFR4CCNKCCNA2CDK2
SCHEMBL520135 0.78 JAK2 (0.57) ALKFGFR4LCKJAK2INSR
SCHEMBL520981 0.78 JAK2 (0.77) ALKJAK2INSRCYP3A4
SCHEMBL23704663 0.73 ALK (0.74) ALKCCNKCCNA2CDK2CCND3
SCHEMBL30331219 0.73 ALK (0.74) ALKCCNKCCNA2CDK2CCND3
SCHEMBL30463630 0.73 ALK (0.65) ALKCCNKCCNA2CDK2CCND3

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-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 2/4885FGFR4 37/4885CCNK 421/4885

“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.