SCHEMBL520800

SCHEMBL520800

CN1CCN(C(=O)C2CCCN(c3ccc(N)cc3)C2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
GFER P55789 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
ADRA2C P18825 1/20 0.49
PTK2B Q14289 1/20 0.49
ESR2 Q92731 1/20 0.49
CASP6 P55212 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 2/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CCNC P24863 2/20 0.45
CDK8 P49336 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
PIK3CD O00329 1/20 0.44

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
SCHEMBL520513 0.84 KMT2A (0.58) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL520330 0.83 MAPT (0.62) POLBALDH1A1MAPTKMT2ALMNA
SCHEMBL520335 0.82 PIK3CD (0.47) POLBMAPTKMT2AMEN1MAPK1
SCHEMBL520336 0.82 PIK3CD (0.47) POLBMAPTKMT2AMEN1MAPK1
SCHEMBL520809 0.82 PIK3CD (0.47) POLBMAPTKMT2AMEN1MAPK1
SCHEMBL14712094 0.80 MAPT (0.47) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL14711365 0.80 MAPT (0.47) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL14495739 0.80 ALDH1A1 (0.52) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL79756 0.79 WDR91 (0.52) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL189163 0.79 ALDH1A1 (0.69) POLBALDH1A1MAPTKMT2AMEN1

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 POLB 860/4885ALDH1A1 779/4885MAPT 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.