SCHEMBL522582

SCHEMBL522582

CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)C(c2cccc(N)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.53
NR1H3 Q13133 7/20 0.53
ROCK2 O75116 1/20 0.47
ABHD6 Q9BV23 1/20 0.45
GPR119 Q8TDV5 1/20 0.42
USP30 Q70CQ3 1/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PARP1 P09874 1/20 0.40

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
SCHEMBL522583 0.93 NR1H2 (0.53) NR1H2NR1H3ROCK2ABHD6GPR119
SCHEMBL521801 0.85 NR1H2 (0.49) NR1H2NR1H3ROCK2ABHD6GPR119
SCHEMBL4712983 0.85 NR1H2 (0.58) NR1H2NR1H3ROCK2ABHD6GPR119
SCHEMBL31226555 0.84 RIPK1 (0.53) NR1H2NR1H3GPR119USP30
SCHEMBL21207072 0.84 RIPK1 (0.53) NR1H2NR1H3GPR119USP30
SCHEMBL4718386 0.84 RIPK1 (0.53) NR1H2NR1H3GPR119USP30
SCHEMBL21198773 0.84 RIPK1 (0.53) NR1H2NR1H3GPR119USP30
SCHEMBL25320429 0.83 RIPK1 (0.49) NR1H2NR1H3GPR119
SCHEMBL31226567 0.83 RIPK1 (0.49) NR1H2NR1H3GPR119
SCHEMBL31226730 0.83 RIPK1 (0.49) NR1H2NR1H3GPR119

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 3733/4885ROCK2 467/4885

“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.