Morpholine

Morpholine

SCHEMBL522228

C1COCCN1.O=[N+]([O-])c1ccc2[nH]c(CN3CCOCC3)nc2c1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
ALDH1A1 P00352 7/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CTSB P07858 1/20 0.51
MAPT P10636 5/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 4/20 0.47
KCNJ1 P48048 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
DRD4 P21917 1/20 0.44
AHR P35869 1/20 0.43
ABCC1 P33527 1/20 0.41

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
SCHEMBL521388 0.94 HPGD (0.60) HPGDALDH1A1HSD17B10L3MBTL1CTSB
SCHEMBL1540369 0.85 MAPT (0.63) HPGDALDH1A1HSD17B10L3MBTL1CTSB
SCHEMBL2319179 0.84 HTT (0.56) HPGDALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL522019 0.81 ALDH1A1 (0.52) HPGDALDH1A1HSD17B10MAPTKDM4E
SCHEMBL522703 0.79 PKM (0.50) HPGDALDH1A1HSD17B10MAPTKDM4E
SCHEMBL28896779 0.75 ALDH1A1 (0.64) HPGDALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL31154137 0.74 TSHR (0.64) ALDH1A1HSD17B10CTSBMAPTKDM4E
SCHEMBL521863 0.74 KDM4E (0.79) HPGDALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL28439032 0.74 ALDH1A1 (0.62) HPGDALDH1A1HSD17B10MAPTKDM4E
Morpholine SCHEMBL10466548 0.72 KDM4E (0.39) ALDH1A1L3MBTL1CTSBMAPTKDM4E

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 HPGD 3064/4885ALDH1A1 779/4885HSD17B10 1879/4885

“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.