SCHEMBL3399585

SCHEMBL3399585

COC1CN(Cc2cc(N)ccc2C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
KMT2A Q03164 1/20 0.46
ACHE P22303 2/20 0.39
CD274 Q9NZQ7 4/20 0.38
PDCD1LG2 Q9BQ51 1/20 0.38
TACR1 P25103 1/20 0.37
PDCD1 Q15116 3/20 0.36
ALDH1A1 P00352 1/20 0.36
FGFR1 P11362 1/20 0.35
CASP1 P29466 1/20 0.35
LTA4H P09960 1/20 0.34
BRD4 O60885 1/20 0.34
NR1H2 P55055 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 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
SCHEMBL3399889 0.89 KMT2A (0.45) MAPK1KMT2AACHECD274TACR1
SCHEMBL4291807 0.81 KMT2A (0.48) MAPK1KMT2AACHETACR1ALDH1A1
SCHEMBL3397026 0.79 KMT2A (0.46) MAPK1KMT2AACHEALDH1A1CASP1
SCHEMBL3397028 0.79 KMT2A (0.46) MAPK1KMT2AACHEALDH1A1CASP1
SCHEMBL24566187 0.77 NR1H2 (0.61) KMT2ACD274PDCD1LG2ALDH1A1NR1H2
SCHEMBL27825156 0.76 LMNA (0.46) MAPK1KMT2AACHETACR1ALDH1A1
SCHEMBL29182981 0.74 ACHE (0.63) MAPK1KMT2AACHEALDH1A1NR1H2
SCHEMBL3399112 0.74 KMT2A (0.47) MAPK1KMT2AACHECD274PDCD1LG2
SCHEMBL12553047 0.73 KMT2A (0.60) MAPK1KMT2AACHEALDH1A1NR1H2
SCHEMBL3396724 0.73 NR1H2 (0.60) MAPK1KMT2AACHEALDH1A1NR1H2

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 5 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
CN-101981036-A Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2011-02-23 CN 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 1885/4885ACHE 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.