SCHEMBL3712907

SCHEMBL3712907

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
MAPT P10636 3/20 0.56
MAPK1 P28482 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2C9 P11712 2/20 0.46
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
DHFR P00374 2/20 0.45
HEXA P06865 1/20 0.45
HEXB P07686 1/20 0.45
AKT2 P31751 1/20 0.44
KMT2A Q03164 1/20 0.44
NPY5R Q15761 1/20 0.44
HTT P42858 3/20 0.42
HPGD P15428 3/20 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
SCHEMBL3715112 0.86 L3MBTL1 (0.52) KDM4EL3MBTL1MAPTMAPK1TDP1
SCHEMBL29184327 0.71 MAPK1 (0.50) KDM4EL3MBTL1MAPTMAPK1TDP1
SCHEMBL12441013 0.70 IKBKB (0.44) KDM4EMAPTMAPK1HTTHSD17B10
SCHEMBL3500167 0.69 DHFR (0.61) KDM4EMAPTCYP1A2ADORA2ADHFR
SCHEMBL3716581 0.69 MAPK1 (0.50) KDM4EL3MBTL1MAPTMAPK1TDP1
SCHEMBL7162150 0.69 DHFR (0.66) KDM4EL3MBTL1MAPTMAPK1TDP1
SCHEMBL29115860 0.69 MAPK1 (0.53) KDM4EL3MBTL1MAPTMAPK1TDP1
SCHEMBL3710762 0.68 XDH (0.40) KDM4EL3MBTL1MAPTMAPK1TDP1
SCHEMBL28926489 0.68 KMT2A (0.41) KDM4EL3MBTL1MAPTMAPK1TDP1
SCHEMBL31484427 0.68 LMNA (0.44) LMNA

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-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 KDM4E 3171/4885L3MBTL1 3795/4885MAPT 475/4885

“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.