SCHEMBL3396892

SCHEMBL3396892

CN1CCN(c2cc(N)ccn2)CC1=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
CHRM1 P11229 1/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
GRIN2C Q14957 1/20 0.52
GRIN3A Q8TCU5 1/20 0.52
PIM1 P11309 5/20 0.49
LRRK2 Q5S007 9/20 0.47
OPRD1 P41143 4/20 0.44
KRAS P01116 1/20 0.41
SOS1 Q07889 1/20 0.41
KCNH2 Q12809 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
SCHEMBL3584893 0.78 PIM1 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30349346 0.78 HRH4 (0.60) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL2378294 0.78 HRH4 (0.60) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL2442050 0.78 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24706831 0.75 GRIN2D (0.47) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL4299275 0.75 GRIN2D (0.54) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL30856775 0.75 GRIN2D (0.47) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
Acetic Acid SCHEMBL27854053 0.73 OPRD1 (0.60) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL3396609 0.73 PIK3CD (0.41) PIM1
SCHEMBL31297185 0.73 PIK3CA (0.42) PIM1LRRK2

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 GRIN2D 4148/4885GRIN3B 3211/4885CHRM1 4279/4885

“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.