SCHEMBL519585

SCHEMBL519585

COc1cc(N2CCCC(CN3CCN(C)CC3)C2)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.41
HTR1A P08908 6/20 0.41
HTR7 P34969 5/20 0.41
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
PDE10A Q9Y233 2/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
PTK2B Q14289 1/20 0.39
DPP4 P27487 2/20 0.38
SIRT6 Q8N6T7 1/20 0.38
HTR4 Q13639 1/20 0.38
EHMT2 Q96KQ7 2/20 0.38
ACHE P22303 1/20 0.38
SUV39H2 Q9H5I1 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
SCHEMBL519584 1.00 PRKDC (0.41) PRKDCHTR1AHTR7ADRA1DADRA1A
SCHEMBL519583 1.00 PRKDC (0.41) PRKDCHTR1AHTR7ADRA1DADRA1A
SCHEMBL14180551 0.90 HTR1A (0.43) PRKDCHTR1AHTR7ADRA1DADRA1A
SCHEMBL310164 0.86 GAA (0.45) HTR1AHTR7ADRA1DADRA1AADRA1B
SCHEMBL14180546 0.84 GAA (0.45) HTR1AHTR7ADRA1DADRA1AADRA1B
SCHEMBL520540 0.82 SIRT6 (0.64) MAPTMAPK1HTTSIRT6
SCHEMBL520550 0.82 SIRT6 (0.64) MAPTMAPK1HTTSIRT6
SCHEMBL4765883 0.81 PRKDC (0.46) PRKDCHTR1AHTR7ADRA1DADRA1A
SCHEMBL2207475 0.81 GAA (0.46) HTR1AHTR7ADRA1DADRA1AADRA1B
SCHEMBL519930 0.81 KDM4E (0.51) PRKDCHTR7KDM4EGAAMAPT

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 PRKDC 750/4885HTR1A 3342/4885HTR7 3482/4885

“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.