SCHEMBL521903

SCHEMBL521903

CN1CCN(c2ccc(Nc3ncc4ccc(NCc5cccnc5)n4n3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.59
JAK3 P52333 3/20 0.59
PTK2 Q05397 2/20 0.59
ALK Q9UM73 7/20 0.59
INSR P06213 6/20 0.59
CYP3A4 P08684 2/20 0.54
NTRK1 P04629 1/20 0.49
CDK2 P24941 2/20 0.48
AURKA O14965 1/20 0.48
CDK4 P11802 1/20 0.48
STAT6 P42226 1/20 0.48
HTR6 P50406 1/20 0.47
EGFR P00533 1/20 0.45

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
SCHEMBL520673 0.91 ALK (0.58) JAK2JAK3PTK2ALKINSR
SCHEMBL520511 0.90 JAK2 (0.61) JAK2JAK3PTK2ALKINSR
SCHEMBL520696 0.84 BRD4 (0.55) JAK2JAK3PTK2ALKINSR
SCHEMBL521870 0.82 JAK2 (0.57) JAK2JAK3PTK2ALKINSR
SCHEMBL520108 0.81 ALK (0.75) JAK2ALKINSRCYP3A4CDK4
SCHEMBL519994 0.80 ALK (0.83) JAK2ALKINSRCYP3A4AURKA
SCHEMBL521449 0.79 ALK (0.71) JAK2ALKINSRCYP3A4STAT6
SCHEMBL519332 0.78 ALK (0.70) JAK2ALKINSRCYP3A4STAT6
SCHEMBL519959 0.76 ALK (0.69) JAK2ALKINSRCYP3A4EGFR
SCHEMBL522202 0.75 ALK (0.60) JAK2ALKINSRCYP3A4CDK2

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 JAK2 1/4885JAK3 6/4885PTK2 592/4885

“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.