SCHEMBL3397955

SCHEMBL3397955

CN(C)C1CCN(C(=O)c2ccc(Br)cc2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.55
CPS1 P31327 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
ATR Q13535 4/20 0.46
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
DGAT1 O75907 1/20 0.44
PDK2 Q15119 1/20 0.44
NR1I2 O75469 1/20 0.44
CACNA1B Q00975 1/20 0.44
DPP4 P27487 1/20 0.43
MAP4K4 O95819 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
PARP1 P09874 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL1448741 0.92 ATR (0.48) L3MBTL3CPS1ATRPIK3CAMTOR
SCHEMBL1449080 0.92 ATR (0.48) L3MBTL3CPS1ATRPIK3CAMTOR
SCHEMBL1448739 0.92 ATR (0.48) L3MBTL3CPS1ATRPIK3CAMTOR
SCHEMBL24632521 0.85 L3MBTL3 (0.56) L3MBTL3CPS1L3MBTL1ATRPIK3CA
SCHEMBL2797831 0.85 L3MBTL3 (0.60) L3MBTL3L3MBTL1PIK3CAMTORHPGD
SCHEMBL15285918 0.84 L3MBTL3 (0.55) L3MBTL3L3MBTL1ATRPIK3CAMTOR
SCHEMBL30198624 0.84 L3MBTL3 (0.55) L3MBTL3CPS1L3MBTL1ATRPIK3CA
SCHEMBL21245833 0.84 L3MBTL3 (0.55) L3MBTL3CPS1L3MBTL1ATRPIK3CA
SCHEMBL21267575 0.82 L3MBTL3 (0.52) L3MBTL3CPS1L3MBTL1ATRPIK3CA
SCHEMBL25085646 0.82 L3MBTL3 (0.52) L3MBTL3CPS1L3MBTL1ATRPIK3CA

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 L3MBTL3 4289/4885CPS1 3296/4885L3MBTL1 3749/4885

“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.