SCHEMBL15739587

SCHEMBL15739587

COC(=O)c1cn2c(Br)cnc2cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
RECQL P46063 2/20 0.35
CYP1A2 P05177 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
LCK P06239 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
PDE5A O76074 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL15717521 0.84 GAA (0.50) KMT2AMEN1KDM4ELMNAPOLB
SCHEMBL17169818 0.82 MKNK1 (0.34) KDM4ECYP1A2IRAK4ALDH1A1RXFP1
SCHEMBL10185177 0.80 KDM4E (0.43) MAPK1KDM4EL3MBTL1TDP1MAPT
SCHEMBL10185188 0.79 ESR1 (0.44) MAPK1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL24998438 0.79 MAPK1 (0.41) MAPK1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL3033347 0.77 MAPK1 (0.45) MAPK1KDM4EL3MBTL1TDP1MAPT
SCHEMBL17174623 0.75 MKNK1 (0.62)
SCHEMBL24998436 0.75 MAPK1 (0.37) MAPK1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL24308022 0.74 PIK3CD (0.46) MAPK1KMT2AMEN1LMNAPOLB
SCHEMBL29469301 0.74 GAA (0.52) KMT2AMEN1KDM4ERECQLCYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150291598-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-10-15 US disclosed
US-20150291598-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-10-15 US disclosed
WO-2014078813-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 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-20150291598-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES CYP11B2, CYP11B1, SLC10A1 MAPK1 1104/4885KMT2A 2617/4885MEN1 379/4885

“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.