SCHEMBL521236

SCHEMBL521236

COc1cc(CN2CCOCC2)ccc1N

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 2/20 0.54
PDE4B Q07343 2/20 0.54
HRH3 Q9Y5N1 1/20 0.50
NCF1 P14598 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL29788564 1.00 HTT (0.66) HTTSMN1; SMN2ALDH1A1PDE4BHRH3
SCHEMBL519845 0.88 HTT (0.70) HTTSMN1; SMN2ALDH1A1PDE4BHRH3
SCHEMBL11296180 0.86 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1HRH3KMT2AMEN1
SCHEMBL16884088 0.86 HTT (0.76) HTTSMN1; SMN2ALDH1A1PDE4BKMT2A
SCHEMBL4764968 0.86 HTT (0.52) HTTSMN1; SMN2ALDH1A1HRH3NCF1
SCHEMBL520387 0.86 SIGMAR1 (0.55) HTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL9995230 0.85 GAA (0.60) ALDH1A1HRH3KMT2AMEN1
SCHEMBL18970191 0.84 ALDH1A1 (0.56) HTTSMN1; SMN2ALDH1A1HRH3KMT2A
SCHEMBL520829 0.84 LMNA (0.57) SMN1; SMN2ALDH1A1NCF1KMT2AMEN1
SCHEMBL29959053 0.84 LMNA (0.57) SMN1; SMN2ALDH1A1NCF1KMT2AMEN1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155389-A1 BICYCLIC INHIBITORS OF ALK ABBVIE INC. (US) 2014-06-05 US claimed
US-11236084-B2 Substituted azaindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2022-02-01 US disclosed
EP-3649127-B1 SUBSTITUTED AZAINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-08 EP disclosed
US-20210188840-A1 NEW SUBSTITUTED AZAINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-06-24 US disclosed
WO-2019008011-A1 NEW SUBSTITUTED AZAINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-10 WO disclosed
EP-2686318-B1 PYRROLOPYRIDINEAMINO DERIVATIVES AS MPS1 INHIBITORS CANCER REC TECH LTD (GB) 2016-03-09 EP disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-20140155389-A1 BICYCLIC INHIBITORS OF ALK ABBVIE INC. (US) 2014-06-05 US disclosed
EP-2665724-A1 BICYCLIC INHIBITORS OF ALK AbbVie Inc. (US) 2013-11-27 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
WO-2012097682-A1 BICYCLIC INHIBITORS OF ALK ABBOTT LABORATORIES (US) 2012-07-26 WO 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 (4 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-11236084-B2 Substituted azaindoline derivatives as NIK inhibitors MAP3K14, NFKBIA, MAP3K15 HTT 3515/4885SMN1; SMN2 3490/4885ALDH1A1 3603/4885
US-20140155389-A1 BICYCLIC INHIBITORS OF ALK ALK, ABL1, BOD1L1 HTT 3769/4885SMN1; SMN2 3815/4885ALDH1A1 140/4885
US-20210188840-A1 NEW SUBSTITUTED AZAINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, MAP3K14 HTT 3450/4885SMN1; SMN2 3284/4885ALDH1A1 3864/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 HTT 786/4885SMN1; SMN2 4722/4885ALDH1A1 779/4885

“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.