SCHEMBL3396502

SCHEMBL3396502

COC1CCN(Cc2cc(N)ccn2)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.41
BACE1 P56817 1/20 0.40
ROCK1 Q13464 3/20 0.38
GRM2 Q14416 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
KCNH2 Q12809 4/20 0.38
ROCK2 O75116 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CDC7 O00311 1/20 0.37
PIM1 P11309 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
S1PR1 P21453 1/20 0.36
MAP4K4 O95819 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL27804073 0.83 ALDH1A1 (0.43) ALDH1A1S1PR1MAP4K4KMT2A
SCHEMBL15974983 0.80 LTA4H (0.40) LTA4HBACE1GRM2PDCD1CD274
SCHEMBL15974982 0.80 LTA4H (0.40) LTA4HBACE1GRM2PDCD1CD274
SCHEMBL3402167 0.80 S1PR1 (0.47) LTA4HPDCD1CD274ALDH1A1S1PR1
SCHEMBL3403129 0.79 MAP4K4 (0.43) LTA4HGRM2MAP4K4
SCHEMBL3399889 0.75 KMT2A (0.45) LTA4HBACE1GRM2PDCD1CD274
SCHEMBL13343762 0.75 LTA4H (0.54) LTA4HGRM2ALDH1A1
SCHEMBL4288563 0.75 LTA4H (0.54) LTA4HGRM2ALDH1A1
SCHEMBL13279450 0.74 USP30 (0.47) KCNH2MAP4K4
SCHEMBL15266328 0.74 LTA4H (0.46) LTA4HBACE1ROCK1GRM2PDCD1

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 LTA4H 2746/4885BACE1 2300/4885ROCK1 845/4885

“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.