SCHEMBL3398170

SCHEMBL3398170

Nc1ccc(N2CCN(CCO)CC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
HRH3 Q9Y5N1 1/20 0.47
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
DRD2 P14416 5/20 0.45
DRD3 P35462 5/20 0.45
HTR1A P08908 4/20 0.45
DRD4 P21917 4/20 0.45
HTR2A P28223 4/20 0.45
HTR7 P34969 4/20 0.45
HTR2C P28335 3/20 0.44
DYRK3 O43781 1/20 0.44
CCNT1 O60563 1/20 0.44

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
SCHEMBL29618438 0.83 ALDH1A1 (0.44) GAAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23246010 0.83 ALDH1A1 (0.44) GAAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29499599 0.83 GRIN2D (0.59) GAAHRH3GRIN2DGRIN3BGRIN1
SCHEMBL19998348 0.83 GRIN2D (0.59) GAAHRH3GRIN2DGRIN3BGRIN1
SCHEMBL5998192 0.83 SRC (0.47) GAAHRH3ROCK2ROCK1HTR2A
SCHEMBL31663034 0.82 GAA (0.53) GAAHRH3ROCK2ROCK1DRD2
SCHEMBL5257923 0.81 GAA (0.55) GAAHRH3GRIN2DGRIN3BGRIN1
SCHEMBL12859199 0.81 DRD2 (0.59) GAAHRH3GRIN2DGRIN3BGRIN1
SCHEMBL1682870 0.81 GAA (0.57) GAAHRH3GRIN2DGRIN3BGRIN1
SCHEMBL3398177 0.81 TLR7 (0.46) GAAGRIN2DGRIN3BGRIN1GRIN2A

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
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
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 GAA 862/4885HRH3 2278/4885ROCK2 1208/4885

“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.