SCHEMBL519845

SCHEMBL519845

COc1ccc(CN2CCOCC2)cc1N

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.70
SMN1; SMN2 Q16637 3/20 0.59
PDE4B Q07343 2/20 0.57
GAA P10253 1/20 0.54
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
RAB9A P51151 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50
NCF1 P14598 1/20 0.50
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
PDE4D Q08499 1/20 0.48
ALDH1A1 P00352 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 0.88 HTT (0.66) HTTSMN1; SMN2PDE4BKMT2AMEN1
SCHEMBL521236 0.88 HTT (0.66) HTTSMN1; SMN2PDE4BKMT2AMEN1
SCHEMBL16884088 0.86 HTT (0.76) HTTSMN1; SMN2PDE4BKMT2AMEN1
SCHEMBL18159368 0.86 SIGMAR1 (0.55) HTTSMN1; SMN2GAATSHRALDH1A1
SCHEMBL27543073 0.85 GAA (0.57) SMN1; SMN2GAAKMT2AMEN1TSHR
SCHEMBL520005 0.84 LMNA (0.57) HTTSMN1; SMN2GAAKMT2AMEN1
SCHEMBL26358413 0.84 NPC1 (0.60) HTTSMN1; SMN2GAAKMT2AMEN1
SCHEMBL22305106 0.82 SIGMAR1 (0.60) SMN1; SMN2GAAKMT2AMEN1ALDH1A1
SCHEMBL28290185 0.82 HTT (0.70) HTTSMN1; SMN2PDE4BKMT2AMEN1
SCHEMBL30059176 0.81 HRH3 (0.59) HTTSMN1; SMN2KMT2AMEN1NPC1

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 HTT 786/4885SMN1; SMN2 4722/4885PDE4B 2705/4885

“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.