SCHEMBL520802

SCHEMBL520802

CC(C)(C)OC(=O)N1CC=C(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1.O=[N+]([O-])c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
CNR1 P21554 2/20 0.43
GPR119 Q8TDV5 1/20 0.41
HTR6 P50406 1/20 0.41
GRM1 Q13255 6/20 0.41
GRM5 P41594 5/20 0.41
JAK1 P23458 1/20 0.41
SCN9A Q15858 1/20 0.40
DGAT2 Q96PD7 1/20 0.40
WDR5 P61964 1/20 0.40
SOS1 Q07889 1/20 0.39
ADAM10 O14672 1/20 0.39
ERBB2 P04626 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL519962 0.95 PDK4 (0.49) PDK4ALDH1A1LMNAMAPTCNR1
SCHEMBL522085 0.85 PDK4 (0.52) PDK4ALDH1A1LMNAMAPTCNR1
SCHEMBL29864873 0.85 PDK4 (0.52) PDK4ALDH1A1LMNAMAPTCNR1
SCHEMBL10036179 0.84 PDK4 (0.51) PDK4ALDH1A1LMNAMAPTCNR1
SCHEMBL29535433 0.84 PDK4 (0.51) PDK4ALDH1A1LMNAMAPTCNR1
SCHEMBL13436409 0.83 PDK4 (0.46) PDK4ALDH1A1LMNAMAPTCNR1
SCHEMBL16385571 0.82 PDK4 (0.51) PDK4ALDH1A1LMNAMAPTCNR1
SCHEMBL5004734 0.82 PDK4 (0.51) PDK4ALDH1A1LMNAMAPTCNR1
SCHEMBL31630903 0.82 PDK4 (0.51) PDK4ALDH1A1LMNAMAPTCNR1
SCHEMBL282496 0.81 PDK4 (0.50) PDK4ALDH1A1LMNAMAPTCNR1

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 PDK4 685/4885ALDH1A1 779/4885LMNA 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.