SCHEMBL521801

SCHEMBL521801

CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)C(c2ccc(N)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.49
NR1H3 Q13133 4/20 0.46
ABHD6 Q9BV23 1/20 0.46
ROCK2 O75116 1/20 0.45
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SETD7 Q8WTS6 2/20 0.41
PDE4B Q07343 1/20 0.41
NAMPT P43490 1/20 0.40
RORC P51449 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
DTYMK P23919 1/20 0.39

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
SCHEMBL521802 0.93 NR1H2 (0.47) NR1H2NR1H3ABHD6ROCK2ALDH1A1
SCHEMBL22772313 0.88 NR1H2 (0.47) NR1H2NR1H3ABHD6ROCK2ALDH1A1
SCHEMBL83834 0.87 NR1H2 (0.59) NR1H2NR1H3ABHD6ROCK2SETD7
SCHEMBL82171 0.87 NR1H2 (0.59) NR1H2NR1H3ABHD6ROCK2SETD7
SCHEMBL1673737 0.87 MEN1 (0.53) NR1H2NR1H3ABHD6ROCK2HTT
SCHEMBL1673567 0.87 NR1H2 (0.59) NR1H2NR1H3ABHD6ROCK2SETD7
SCHEMBL83391 0.87 MEN1 (0.53) NR1H2NR1H3ABHD6ROCK2HTT
SCHEMBL1673736 0.87 MEN1 (0.53) NR1H2NR1H3ABHD6ROCK2HTT
SCHEMBL4712983 0.87 NR1H2 (0.58) NR1H2NR1H3ABHD6ROCK2RORC
SCHEMBL522582 0.85 NR1H2 (0.53) NR1H2NR1H3ABHD6ROCK2HDAC6

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.