SCHEMBL3715112

SCHEMBL3715112

Cc1nc(Br)c(-c2ccccc2)c(Br)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
AKT2 P31751 2/20 0.41
BRD4 O60885 2/20 0.41
CHEK1 O14757 1/20 0.41
BRD2 P25440 1/20 0.41
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
TDO2 P48775 1/20 0.38
KMT2A Q03164 1/20 0.38
PRNP P04156 1/20 0.38
PPARG P37231 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL3712907 0.86 KDM4E (0.56) L3MBTL1MAPTMAPK1TDP1KDM4E
SCHEMBL12441013 0.82 IKBKB (0.44) MAPTMAPK1KDM4ERXFP1ALDH1A1
SCHEMBL28682614 0.79 L3MBTL1 (0.48) L3MBTL1MAPTMAPK1TDP1KDM4E
SCHEMBL29184327 0.78 MAPK1 (0.50) L3MBTL1MAPTMAPK1TDP1KDM4E
SCHEMBL13700991 0.75 LMNA (0.55) L3MBTL1MAPTMAPK1TDP1KDM4E
SCHEMBL10205902 0.74 L3MBTL1 (0.54) L3MBTL1MAPTTDP1KDM4EAKT2
SCHEMBL31504610 0.74 L3MBTL1 (0.54) L3MBTL1MAPTMAPK1TDP1KDM4E
SCHEMBL3711518 0.73 L3MBTL1 (0.52) L3MBTL1MAPTKDM4EAKT2BRD4
SCHEMBL3719157 0.71 MAPK1 (0.44) L3MBTL1MAPTMAPK1TDP1KDM4E
SCHEMBL28855851 0.71 LMNA (0.52) TDP1KDM4EKMT2APRNPRXFP1

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
CN-102361872-B Fused pyrimidines as AKT inhibitors BAYER SCHERING PHARMA AG 2014-12-03 CN disclosed
US-20130310362-A1 FUSED PYRIMIDINES BAYER PHARMA AKTIEGESELLSCHAFT (DE) 2013-11-21 US disclosed
EP-2396331-B1 FUSED PYRIMIDINES AS AKT INHIBITORS BAYER IP GMBH (DE) 2013-10-16 EP disclosed
EP-2396331-A1 FUSED PYRIMIDINES AS AKT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2011-12-21 EP disclosed
WO-2010091824-A1 FUSED PYRIMIDINES AS AKT INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-19 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-20130310362-A1 FUSED PYRIMIDINES PIK3CA, MTOR, PIK3CD L3MBTL1 3795/4885MAPT 475/4885MAPK1 54/4885

“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.