SCHEMBL520671

SCHEMBL520671

CC(C)(C)OC(=O)N1CCN(C(=O)O)CC1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.55
NR1H2 P55055 4/20 0.44
NR1H3 Q13133 4/20 0.44
PDE5A O76074 1/20 0.43
ABHD6 Q9BV23 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ROCK2 O75116 1/20 0.40
BCL2 P10415 1/20 0.39
BECN1 Q14457 1/20 0.39
PRKCQ Q04759 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL520670 0.93 ALDH1A1 (0.60) ALDH1A1MAPTLMNANR1H2NR1H3
SCHEMBL7670172 0.91 ALDH1A1 (0.58) ALDH1A1MAPTLMNANR1H2NR1H3
SCHEMBL521741 0.87 NR1H2 (0.48) ALDH1A1MAPTLMNANR1H2NR1H3
SCHEMBL2809566 0.85 NR1H2 (0.57) NR1H2NR1H3ABHD6ROCK2
SCHEMBL16530352 0.84 ALDH1A1 (0.42) ALDH1A1MAPTPDE5ASMN1; SMN2HPGD
SCHEMBL82172 0.84 NR1H2 (0.57) NR1H2NR1H3PDE5AABHD6ROCK2
SCHEMBL12988184 0.84 NR1H2 (0.57) NR1H2NR1H3PDE5AABHD6ROCK2
SCHEMBL521802 0.84 NR1H2 (0.47) ALDH1A1MAPTNR1H2NR1H3ABHD6
SCHEMBL83392 0.84 MEN1 (0.48) NR1H2NR1H3ABHD6ROCK2HPGD
SCHEMBL25279026 0.82 ALDH1A1 (0.54) ALDH1A1MAPTLMNAPDE5APKM

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

“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.