SCHEMBL521150

SCHEMBL521150

CN1CCN(C2CCCN(c3ccc(N)cc3)C2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
GAA P10253 3/20 0.56
MAPT P10636 3/20 0.56
ADRA2C P18825 3/20 0.56
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 2/20 0.56
GFER P55789 2/20 0.56
PTK2B Q14289 1/20 0.56
ESR2 Q92731 1/20 0.56
HRH3 Q9Y5N1 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL5836183 0.91 MAPT (0.59) KDM4EGAAMAPTADRA2CALDH1A1
SCHEMBL5836939 0.89 KDM4E (0.53) KDM4EGAAMAPTADRA2CALDH1A1
SCHEMBL2481932 0.88 LMNA (0.56) KDM4EGAAMAPTADRA2CALDH1A1
SCHEMBL12005958 0.88 HRH3 (0.52) KDM4EGAAMAPTADRA2CALDH1A1
SCHEMBL12006588 0.88 HRH3 (0.52) KDM4EGAAMAPTADRA2CALDH1A1
SCHEMBL12005460 0.88 HRH3 (0.52) KDM4EGAAMAPTADRA2CALDH1A1
SCHEMBL520154 0.84 MAP4K4 (0.52) KDM4EGAAMAPTADRA2CALDH1A1
SCHEMBL12006223 0.83 L3MBTL1 (0.51) KDM4EGAAMAPTADRA2CALDH1A1
SCHEMBL156422 0.81 ALDH1A1 (0.68) KDM4EGAAMAPTADRA2CALDH1A1
SCHEMBL520818 0.80 LMNA (0.63) MAPTALDH1A1KMT2AHRH3MEN1

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 KDM4E 192/4885GAA 3085/4885MAPT 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.