SCHEMBL521802

SCHEMBL521802

CC(C)(C)OC(=O)N1CCN(C(=O)O)CC1c1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.47
NR1H3 Q13133 4/20 0.47
ABHD6 Q9BV23 1/20 0.42
ROCK2 O75116 1/20 0.42
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RORC P51449 2/20 0.38
SETD7 Q8WTS6 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
PARP1 P09874 1/20 0.38
MAP4K4 O95819 1/20 0.37
NAMPT P43490 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL521801 0.93 NR1H2 (0.49) NR1H2NR1H3ABHD6ROCK2ALDH1A1
SCHEMBL2809566 0.89 NR1H2 (0.57) NR1H2NR1H3ABHD6ROCK2RORC
SCHEMBL12988184 0.88 NR1H2 (0.57) NR1H2NR1H3ABHD6ROCK2RORC
SCHEMBL83392 0.88 MEN1 (0.48) NR1H2NR1H3ABHD6ROCK2
SCHEMBL82172 0.88 NR1H2 (0.57) NR1H2NR1H3ABHD6ROCK2RORC
SCHEMBL522583 0.86 NR1H2 (0.53) NR1H2NR1H3ABHD6ROCK2GPR119
SCHEMBL12989104 0.86 NR1H2 (0.45) NR1H2NR1H3ABHD6ROCK2RORC
SCHEMBL12989117 0.86 NR1H2 (0.45) NR1H2NR1H3ABHD6ROCK2ALDH1A1
SCHEMBL38661096 0.85 NR1H2 (0.47) NR1H2NR1H3ABHD6ROCK2ALDH1A1
SCHEMBL12988409 0.85 NR1H2 (0.50) NR1H2NR1H3ABHD6ROCK2ALDH1A1

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 NR1H2 3126/4885NR1H3 3733/4885ABHD6 2234/4885

“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.