SCHEMBL521313

SCHEMBL521313

Nc1ccc2cn(CCN3CCOCC3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
NSD2 O96028 1/20 0.49
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
GAA P10253 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
FLT3 P36888 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ILK Q13418 1/20 0.38
CNR2 P34972 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
PIK3CA P42336 1/20 0.37
AXL P30530 1/20 0.37
HPGD P15428 2/20 0.37
GLA P06280 1/20 0.37
CASP1 P29466 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
SCHEMBL521030 0.89 HDAC3 (0.52) MAPTKDM4EALDH1A1HDAC3HDAC1
SCHEMBL5860485 0.89 ALDH1A1 (0.51) MAPTKDM4EALDH1A1NSD2CNR2
SCHEMBL29985547 0.80 LMNA (0.49) MAPTKDM4EALDH1A1HDAC3HDAC1
SCHEMBL31351108 0.79 HDAC3 (0.46) MAPTKDM4EALDH1A1HDAC3HDAC1
SCHEMBL521706 0.78 MAPT (0.54) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL31324388 0.77 HDAC3 (0.45) MAPTKDM4EALDH1A1HDAC3HDAC1
SCHEMBL2076279 0.77 MCHR1 (0.49) MAPTKDM4EALDH1A1NSD2HDAC3
SCHEMBL15007068 0.76 HDAC3 (0.39) HDAC3HDAC1HDAC2FLT3
SCHEMBL15244016 0.76 KDM4E (0.57) MAPTKDM4EALDH1A1NSD2NPC1
SCHEMBL5860787 0.76 MCHR1 (0.48) MAPTKDM4EALDH1A1NSD2HDAC3

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 MAPT 3109/4885KDM4E 192/4885ALDH1A1 779/4885

“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.