SCHEMBL3401548

SCHEMBL3401548

Nc1ccnc(OC2CCOCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.50
LOX P28300 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
LRRK2 Q5S007 9/20 0.45
ACACB O00763 1/20 0.43
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42
ROCK1 Q13464 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
PIK3CA P42336 1/20 0.38
SYK P43405 1/20 0.38
GRM5 P41594 1/20 0.38
GRM4 Q14833 1/20 0.38

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
SCHEMBL29026979 0.88 LOX (0.53) HDAC6LOXLOXL2ACACBROCK1
SCHEMBL15651656 0.85 LOX (0.58) HDAC6LOXLOXL2LRRK2ACACB
SCHEMBL8277607 0.84 HDAC6 (0.50) HDAC6LOXLOXL2LRRK2ACACB
SCHEMBL3323298 0.81 HDAC6 (0.50) HDAC6LOXLOXL2LRRK2ACACB
SCHEMBL4932984 0.80 LOXL2 (0.74) HDAC6LOXLOXL2LRRK2ACACB
SCHEMBL12261864 0.80 HDAC6 (0.47) HDAC6LOXLOXL2LRRK2ACACB
SCHEMBL16217410 0.80 HDAC6 (0.50) HDAC6LOXLOXL2LRRK2ACACB
SCHEMBL16220848 0.80 LOX (0.54) HDAC6LOXLOXL2LRRK2ACACB
SCHEMBL21311492 0.79 LOX (0.46) LOXLOXL2LRRK2ACACB
SCHEMBL22583032 0.77 NOS3 (0.47) HDAC6LRRK2ROCK1ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
EP-2247591-A1 PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-11-10 EP disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 HDAC6 705/4885LOX 1029/4885LOXL2 2285/4885

“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.