SCHEMBL520586

SCHEMBL520586

COc1cc2c(cc1N)CN(C1CCN(C)CC1)C2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
SLC6A4 P31645 1/20 0.45
RAD52 P43351 1/20 0.41
QDPR P09417 1/20 0.38
HTR4 Q13639 1/20 0.38
DRD2 P14416 6/20 0.37
DRD1 P21728 5/20 0.37
DRD5 P21918 2/20 0.37
DRD3 P35462 1/20 0.37
S100B P04271 1/20 0.37
CA7 P43166 1/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL2063257 0.81 MAOA (0.44) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL520977 0.80 MAOB (0.56) MAOAMAOBSLC6A4S100BCA7
SCHEMBL31378016 0.80 MAOB (0.56) MAOAMAOBSLC6A4S100BCA7
SCHEMBL14076293 0.80 MAOA (0.63) MAOAMAOBSLC6A4RAD52DRD2
SCHEMBL520327 0.80 PDE4B (0.43) MAOAMAOBSLC6A4RAD52DRD2
SCHEMBL2204044 0.80 ABCB1 (0.46) MAOAMAOBSLC6A4RAD52HTR4
SCHEMBL24040068 0.77 RAD52 (0.47) RAD52DRD2DRD1DRD5DRD3
SCHEMBL20939758 0.76 MAOB (0.77) MAOAMAOBSLC6A4DRD2DRD1
SCHEMBL2207810 0.76 MAOB (0.77) MAOAMAOBSLC6A4DRD2DRD1
SCHEMBL23154031 0.75 EGFR (0.41) DRD2DRD3

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 MAOA 4083/4885MAOB 2902/4885SLC6A4 1699/4885

“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.