SCHEMBL521141

SCHEMBL521141

COc1cc(Cn2ccnc2C)ccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
HTT P42858 2/20 0.59
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
PKM P14618 1/20 0.46
LMNA P02545 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NOS1 P29475 1/20 0.42
KCNH2 Q12809 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
KMT2A Q03164 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
SCHEMBL9526918 0.80 HTT (0.53) ALDH1A1HTTMAPTRAB9ALMNA
SCHEMBL521517 0.78 ALDH1A1 (0.51) ALDH1A1HTTLMNAL3MBTL1KCNH2
SCHEMBL9838126 0.77 ALDH1A1 (0.71) ALDH1A1HTTMAPTRAB9APKM
SCHEMBL9523915 0.77 ALDH1A1 (0.82) ALDH1A1PKMLMNASMN1; SMN2
SCHEMBL7016549 0.76 NOS1 (0.63) ALDH1A1HTTMAPTRAB9ALMNA
SCHEMBL5395513 0.76 ALDH1A1 (0.54) ALDH1A1HTTMAPTLMNASIRT6
SCHEMBL2031473 0.74 ALDH1A1 (0.51) ALDH1A1HTTMAPTPKMLMNA
SCHEMBL12492402 0.73 ALDH1A1 (0.60) ALDH1A1HTTMAPTLMNAL3MBTL1
SCHEMBL27621445 0.72 HTT (0.50) ALDH1A1HTTMAPTRAB9ALMNA
SCHEMBL1531355 0.72 ALDH1A1 (0.53) ALDH1A1HTTMAPTLMNAL3MBTL1

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 779/4885HTT 786/4885MAPT 3109/4885

“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.