SCHEMBL3401846

SCHEMBL3401846

Cc1ccc(N)cc1CN1CCNC2(CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MAPK1 P28482 1/20 0.44
ACHE P22303 2/20 0.38
LMNA P02545 1/20 0.38
PDCD1LG2 Q9BQ51 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
CASP1 P29466 1/20 0.34
ALDH1A1 P00352 3/20 0.33
NR1H2 P55055 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
RAD52 P43351 1/20 0.33
GFER P55789 1/20 0.33
CYP3A4 P08684 1/20 0.33
DRD2 P14416 1/20 0.32
MAOA P21397 1/20 0.32
MGLL Q99685 1/20 0.31

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
SCHEMBL3396475 0.85 KMT2A (0.45) KMT2AMAPK1ACHELMNACASP1
SCHEMBL3399535 0.77 ALDH1A1 (0.49) KMT2ALMNAALDH1A1CYP3A4MEN1
SCHEMBL4293441 0.77 MAPK1 (0.47) KMT2AMAPK1ACHECD274NR1H2
SCHEMBL3401336 0.74 MAPK1 (0.44) KMT2AMAPK1ACHELMNANR1H2
SCHEMBL29182981 0.72 ACHE (0.63) KMT2AMAPK1ACHEALDH1A1NR1H2
SCHEMBL3400438 0.72 KMT2A (0.51) KMT2AMAPK1ACHELMNACD274
SCHEMBL3396724 0.71 NR1H2 (0.60) KMT2AMAPK1ACHELMNAALDH1A1
SCHEMBL12553047 0.71 KMT2A (0.60) KMT2AMAPK1ACHELMNAALDH1A1
SCHEMBL3399817 0.70 CYP2A13 (0.61) KMT2AMAPK1ACHELMNAKDM4E
SCHEMBL3401722 0.69 MAPK1 (0.40) KMT2AMAPK1ACHECD274NR1H2

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 KMT2A 1885/4885MAPK1 13/4885ACHE 4251/4885

“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.