SCHEMBL520291

SCHEMBL520291

COc1cc(N2CCC[C@H](C(=O)O)C2)ccc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
LMNA P02545 2/20 0.66
SIRT6 Q8N6T7 1/20 0.57
MAPT P10636 5/20 0.54
SERPINE1 P05121 2/20 0.51
MAPK1 P28482 1/20 0.49
GAA P10253 1/20 0.45
NOTUM Q6P988 2/20 0.44
HTR6 P50406 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
S100A4 P26447 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL520808 1.00 ALDH1A1 (0.66) ALDH1A1LMNASIRT6MAPTSERPINE1
SCHEMBL520292 1.00 ALDH1A1 (0.66) ALDH1A1LMNASIRT6MAPTSERPINE1
SCHEMBL12312055 0.90 ALDH1A1 (0.65) ALDH1A1LMNASIRT6MAPTSERPINE1
SCHEMBL520828 0.86 ALDH1A1 (0.68) ALDH1A1LMNASIRT6MAPTSERPINE1
SCHEMBL519745 0.86 SIRT6 (0.62) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL519744 0.86 SIRT6 (0.62) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL520874 0.86 SIRT6 (0.62) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL310221 0.85 LMNA (0.70) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL30135512 0.85 LMNA (0.70) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL14637949 0.85 HPGD (0.62) ALDH1A1LMNAMAPTSERPINE1MAPK1

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 779/4885LMNA 3783/4885SIRT6 3364/4885

“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.