SCHEMBL519462

SCHEMBL519462

CN1CCN(c2ccc(Nc3ncc4ccc(-c5cccc(S(=O)(=O)NC(C)(C)C)c5)n4n3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 1.00
ALK Q9UM73 6/20 0.67
INSR P06213 4/20 0.67
PTK2 Q05397 2/20 0.63
BRD4 O60885 7/20 0.61
JAK3 P52333 2/20 0.61
FLT3 P36888 2/20 0.61
BUB1B O60566 1/20 0.61
RET P07949 1/20 0.61
JAK1 P23458 1/20 0.61
BRD2 P25440 1/20 0.61
WEE1 P30291 1/20 0.61
BRD3 Q15059 1/20 0.61
BRDT Q58F21 1/20 0.61
CYP3A4 P08684 2/20 0.57

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
SCHEMBL520697 0.93 JAK2 (0.86) JAK2ALKINSRPTK2BRD4
SCHEMBL520436 0.92 JAK2 (0.85) JAK2ALKINSRPTK2BRD4
SCHEMBL520804 0.91 JAK2 (0.83) JAK2ALKINSRPTK2BRD4
SCHEMBL520367 0.91 JAK2 (0.83) JAK2ALKINSRPTK2JAK3
SCHEMBL519925 0.90 JAK2 (0.82) JAK2ALKINSRPTK2BRD4
SCHEMBL519908 0.89 JAK2 (0.80) JAK2ALKINSRPTK2JAK3
SCHEMBL521795 0.89 JAK2 (1.00) JAK2ALKINSRPTK2BRD4
SCHEMBL521582 0.88 JAK2 (1.00) JAK2ALKINSRPTK2BRD4
SCHEMBL520323 0.88 JAK2 (0.81) JAK2ALKINSRPTK2BRD4
SCHEMBL520045 0.88 JAK2 (0.81) JAK2ALKINSRPTK2BRD4

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 JAK2 1/4885ALK 2/4885INSR 1738/4885

“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.