SCHEMBL521667

SCHEMBL521667

COc1cc(C(C#N)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
LMNA P02545 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP2C19 P33261 1/20 0.37
CHEK1 O14757 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
EGFR P00533 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
TNF P01375 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34

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
SCHEMBL3313171 0.88 ALDH1A1 (0.45) ALDH1A1LMNATDP1CYP2C19SIRT6
SCHEMBL28619122 0.85 ALDH1A1 (0.47) ALDH1A1LMNATDP1CYP2C19KDM4E
SCHEMBL26695852 0.85 MAPT (0.33) ALDH1A1LMNATDP1KDM4EHTT
SCHEMBL30733389 0.85 MAPT (0.33) ALDH1A1LMNATDP1KDM4EHTT
SCHEMBL20718808 0.84 AKR1C3 (0.42) ALDH1A1LMNATDP1CYP2C19SIRT6
SCHEMBL15173461 0.80 CHEK1 (0.37) ALDH1A1LMNATDP1CHEK1KDM4E
SCHEMBL2761873 0.79 ALDH1A1 (0.46) ALDH1A1LMNATDP1KDM4EMAPT
SCHEMBL3311892 0.73 ALDH1A1 (0.52) ALDH1A1LMNATDP1CYP2C19SIRT6
SCHEMBL2566810 0.73 ALDH1A1 (0.33) ALDH1A1LMNATDP1MAPTKMT2A
SCHEMBL21656170 0.73 L3MBTL1 (0.44) ALDH1A1TDP1MAPTKMT2AL3MBTL1

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 3783/4885TDP1 1698/4885

“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.