SCHEMBL521740

SCHEMBL521740

CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)C(c2cccc([N+](=O)[O-])c2)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
NR1H2 P55055 4/20 0.47
NR1H3 Q13133 4/20 0.47
NR3C2 P08235 1/20 0.45
ROCK2 O75116 1/20 0.44
ABHD6 Q9BV23 1/20 0.43
PDE5A O76074 1/20 0.41
KDM4E B2RXH2 1/20 0.41
OPRK1 P41145 1/20 0.41
HTT P42858 1/20 0.41
GHSR Q92847 1/20 0.41
PRKCQ Q04759 1/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL521741 0.94 NR1H2 (0.48) LMNAALDH1A1MAPTNR1H2NR1H3
SCHEMBL520670 0.87 ALDH1A1 (0.60) LMNAALDH1A1MAPTNR1H2NR1H3
SCHEMBL31578404 0.85 LMNA (0.49) LMNAALDH1A1MAPTNR3C2PDE5A
SCHEMBL522582 0.82 NR1H2 (0.53) NR1H2NR1H3ROCK2ABHD6
SCHEMBL23123816 0.82 LMNA (0.50) LMNAALDH1A1MAPTNR3C2KDM4E
SCHEMBL29786396 0.82 LMNA (0.50) LMNAALDH1A1MAPTNR3C2KDM4E
SCHEMBL4712983 0.81 NR1H2 (0.58) NR1H2NR1H3ROCK2ABHD6
SCHEMBL520671 0.81 ALDH1A1 (0.55) LMNAALDH1A1MAPTNR1H2NR1H3
SCHEMBL7670172 0.81 ALDH1A1 (0.58) LMNAALDH1A1MAPTNR1H2NR1H3
SCHEMBL31226708 0.81 LMNA (0.45) LMNAALDH1A1MAPTNR1H2NR1H3

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 LMNA 3783/4885ALDH1A1 779/4885MAPT 3109/4885

“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.