SCHEMBL3401336

SCHEMBL3401336

Cc1ccc(N)cc1CN1CCC2(CCN(C)C2)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
MGLL Q99685 1/20 0.39
NR1H2 P55055 1/20 0.39
ACHE P22303 2/20 0.38
LMNA P02545 1/20 0.34
CYP2D6 P10635 2/20 0.34
CYP3A4 P08684 1/20 0.34
TRPC5 Q9UL62 1/20 0.34
OGA O60502 1/20 0.33

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
SCHEMBL4293441 0.80 MAPK1 (0.47) MAPK1KMT2AMGLLNR1H2ACHE
SCHEMBL3396724 0.77 NR1H2 (0.60) MAPK1KMT2ANR1H2ACHELMNA
SCHEMBL31202932 0.77 NR1H2 (0.50) MAPK1KMT2ANR1H2ACHELMNA
SCHEMBL21280252 0.75 KMT2A (0.50) MAPK1KMT2ANR1H2ACHELMNA
SCHEMBL3401846 0.74 KMT2A (0.44) MAPK1KMT2AMGLLNR1H2ACHE
SCHEMBL3399817 0.73 CYP2A13 (0.61) MAPK1KMT2AACHELMNA
SCHEMBL29182981 0.72 ACHE (0.63) MAPK1KMT2ANR1H2ACHECYP2D6
SCHEMBL3396475 0.72 KMT2A (0.45) MAPK1KMT2ANR1H2ACHELMNA
SCHEMBL4283821 0.72 KMT2A (0.42) MAPK1KMT2ANR1H2ACHECYP3A4
SCHEMBL3401722 0.72 MAPK1 (0.40) MAPK1KMT2AMGLLNR1H2ACHE

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 MAPK1 13/4885KMT2A 1885/4885MGLL 4785/4885

“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.