SCHEMBL520594

SCHEMBL520594

CC(=O)Nc1cc([N+](=O)[O-])ccc1C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 5/20 0.51
HPGD P15428 2/20 0.51
CYP19A1 P11511 1/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 5/20 0.47
CYP1A2 P05177 2/20 0.47
MEN1 O00255 2/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP2C19 P33261 1/20 0.47
GALR3 O60755 1/20 0.46
MAPT P10636 2/20 0.46

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
SCHEMBL3544173 0.88 SMN1; SMN2 (0.51) SMN1; SMN2HTTHPGDCYP19A1ALDH1A1
SCHEMBL31125083 0.88 SMN1; SMN2 (0.51) SMN1; SMN2HTTHPGDCYP19A1ALDH1A1
SCHEMBL5497669 0.83 KMT2A (0.54) HTTHPGDALDH1A1GAAL3MBTL1
SCHEMBL2747272 0.83 MEN1 (0.48) SMN1; SMN2HTTHPGDALDH1A1GAA
SCHEMBL16097376 0.83 MEN1 (0.51) SMN1; SMN2HTTHPGDALDH1A1GAA
SCHEMBL2748284 0.81 LMNA (0.50) SMN1; SMN2HTTHPGDALDH1A1GAA
SCHEMBL14724673 0.81 KMT2A (0.46) SMN1; SMN2HTTHPGDALDH1A1GAA
SCHEMBL21416715 0.81 MAPT (0.51) SMN1; SMN2HTTHPGDALDH1A1GAA
SCHEMBL915213 0.80 MEN1 (0.64) SMN1; SMN2HTTHPGDALDH1A1GAA
SCHEMBL4326710 0.80 SMN1; SMN2 (0.58) SMN1; SMN2HTTCYP19A1ALDH1A1GAA

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 6 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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 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 SMN1; SMN2 4722/4885HTT 786/4885HPGD 3064/4885

“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.