SCHEMBL3403129

SCHEMBL3403129

CN(C)C1CCN(Cc2cc(N)ccn2)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.43
KDM4E B2RXH2 1/20 0.42
MITF O75030 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LTA4H P09960 1/20 0.38
GRM2 Q14416 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
HRH3 Q9Y5N1 4/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
KDM1A O60341 2/20 0.37
OPRD1 P41143 1/20 0.37
TLR7 Q9NYK1 1/20 0.36
NSD2 O96028 1/20 0.36
PGR P06401 1/20 0.36
FGFR1 P11362 1/20 0.35

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
SCHEMBL13460128 0.80 MAP4K4 (0.41) MAP4K4KDM4EMITFL3MBTL1LTA4H
SCHEMBL13460106 0.80 MAP4K4 (0.41) MAP4K4KDM4EMITFL3MBTL1LTA4H
SCHEMBL3402167 0.80 S1PR1 (0.47) KDM4EL3MBTL1LTA4H
SCHEMBL3396502 0.79 LTA4H (0.41) MAP4K4LTA4HGRM2
SCHEMBL27804073 0.78 ALDH1A1 (0.43) MAP4K4L3MBTL1
SCHEMBL27289142 0.76 MAP4K4 (0.41) MAP4K4LTA4HGRM2SCN8AHRH3
SCHEMBL4285309 0.75 KMT2A (0.45) MAP4K4KDM4EMITFL3MBTL1LTA4H
SCHEMBL12073513 0.75 LTA4H (0.54) MAP4K4LTA4HGRM2HRH3
SCHEMBL3397140 0.74 SIGMAR1 (0.39) HRH3HRH1TLR7
SCHEMBL17134986 0.74 CXCR3 (0.46) MAP4K4KDM4EMITFL3MBTL1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101981036-B Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2013-09-04 CN disclosed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
CN-101981036-A Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2011-02-23 CN 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 MAP4K4 54/4885KDM4E 1741/4885MITF 123/4885

“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.