SCHEMBL520498

SCHEMBL520498

COc1cc2c(cc1N)CCCC(N1CCOCC1)C2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.38
PARP1 P09874 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
DRD2 P14416 7/20 0.35
DRD1 P21728 5/20 0.35
EHMT2 Q96KQ7 2/20 0.35
ABCB1 P08183 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
EHMT1 Q9H9B1 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL20061154 0.93 RAD52 (0.39) RAD52DRD2DRD1EHMT2DRD5
SCHEMBL2061466 0.86 ALK (0.41) PARP1EHMT2ABCB1EHMT1
SCHEMBL24040068 0.77 RAD52 (0.47) RAD52DRD2DRD1DRD5DRD3
SCHEMBL2062693 0.76 ADRA1A (0.47) SIGMAR1EHMT2ABCB1
SCHEMBL2062311 0.75 HTT (0.41)
SCHEMBL521285 0.75 ALK (0.45) SIGMAR1
SCHEMBL2063723 0.75 ALK (0.45) SIGMAR1DRD2DRD1DRD5DRD3
SCHEMBL2917832 0.74 SIGMAR1 (0.55) SIGMAR1DRD2ABCB1DRD3
SCHEMBL2061402 0.74 SIGMAR1 (0.52) SIGMAR1DRD2ABCB1DRD3
SCHEMBL20061133 0.73 HTT (0.43)

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 5 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 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 RAD52 4336/4885PARP1 414/4885SIGMAR1 4165/4885

“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.