SCHEMBL520336

SCHEMBL520336

COc1cc(N2CCCC(C(=O)N3CCN(C)CC3)C2)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
KCNH2 Q12809 1/20 0.47
GAK O14976 1/20 0.45
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 4/20 0.44
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
BTK Q06187 1/20 0.42
CCNC P24863 2/20 0.42
CDK8 P49336 2/20 0.42

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
SCHEMBL520809 1.00 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL520335 1.00 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL519738 0.87 LGMN (0.46) MAPTSMN1; SMN2POLBMAPK1
SCHEMBL12312211 0.84 GAK (0.56) GAKSMN1; SMN2
SCHEMBL519745 0.84 SIRT6 (0.62) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL520874 0.84 SIRT6 (0.62) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL519744 0.84 SIRT6 (0.62) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL520800 0.82 POLB (0.50) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL13362033 0.82 TDP1 (0.55) MAPTSMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL519637 0.79 NPC1 (0.42) MAPTMAPK1MEN1KMT2A

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 PIK3CD 197/4885PIK3CA 147/4885PIK3CB 258/4885

“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.