SCHEMBL520734

SCHEMBL520734

Clc1ncccc1-c1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nn12

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.70
INSR P06213 7/20 0.68
ALK Q9UM73 9/20 0.57
CYP3A4 P08684 2/20 0.57
NPM1 P06748 1/20 0.51
JAK3 P52333 1/20 0.45
PTK2 Q05397 1/20 0.45
CCNK O75909 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCND3 P30281 1/20 0.44
CDK9 P50750 1/20 0.44
CDK6 Q00534 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
SCHEMBL520548 0.89 JAK2 (0.72) JAK2INSRALKCYP3A4NPM1
SCHEMBL521110 0.88 JAK2 (0.70) JAK2INSRALKCYP3A4NPM1
SCHEMBL519918 0.86 JAK2 (0.78) JAK2INSRALKCYP3A4NPM1
SCHEMBL3465960 0.84 JAK2 (0.75) JAK2INSRALKCYP3A4NPM1
SCHEMBL16530393 0.83 JAK2 (0.72) JAK2INSRALKCYP3A4NPM1
SCHEMBL519702 0.83 INSR (0.82) JAK2INSRALKCYP3A4JAK3
SCHEMBL518916 0.82 JAK2 (1.00) JAK2INSRALKCYP3A4NPM1
SCHEMBL16530332 0.82 JAK2 (0.72) JAK2INSRALKCYP3A4NPM1
SCHEMBL520176 0.81 INSR (1.00) JAK2INSRALKCYP3A4NPM1
SCHEMBL521762 0.81 JAK2 (0.68) JAK2INSRALKCYP3A4NPM1

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 7 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
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

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 1/4885INSR 1738/4885ALK 2/4885

“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.