SCHEMBL521456

SCHEMBL521456

COc1cc2c(cc1N)CN(C(C)C)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TMEM97 Q5BJF2 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
KCNH2 Q12809 2/20 0.40
GAA P10253 1/20 0.40
MAOB P27338 4/20 0.40
MAOA P21397 2/20 0.40
SLC6A4 P31645 1/20 0.40
S100B P04271 1/20 0.39
CA7 P43166 1/20 0.38
CYP3A4 P08684 3/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL29520625 0.89 HRH3 (0.51) HRH3MAOBMAOASLC6A4CA7
SCHEMBL29557863 0.89 HRH3 (0.51) HRH3MAOBMAOASLC6A4CA7
SCHEMBL2202209 0.89 HRH3 (0.51) HRH3MAOBMAOASLC6A4CA7
SCHEMBL24620314 0.89 HRH3 (0.51) HRH3MAOBMAOASLC6A4CA7
SCHEMBL10383112 0.87 HRH3 (0.53) HRH3TMEM97SIGMAR1KCNH2MAOB
SCHEMBL2062329 0.83 HRH3 (0.51) HRH3POLBL3MBTL1GAAMAOB
SCHEMBL31378016 0.79 MAOB (0.56) POLBL3MBTL1GAAMAOBMAOA
SCHEMBL520977 0.79 MAOB (0.56) POLBL3MBTL1GAAMAOBMAOA
SCHEMBL2209646 0.79 MAOB (0.45) HRH3L3MBTL1MAOBMAOASLC6A4
SCHEMBL8035323 0.75 HRH3 (0.61) HRH3L3MBTL1GAAMAOBMAOA

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 HRH3 1453/4885POLB 860/4885L3MBTL1 2484/4885

“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.