SCHEMBL3708083

SCHEMBL3708083

Cc1nc(-c2ccc(C=O)cc2)c(-c2ccccc2)c2nccn12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.51
BTK Q06187 1/20 0.42
ALDH1A1 P00352 2/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
IGF1R P08069 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
GPR55 Q9Y2T6 1/20 0.36
ADORA1 P30542 1/20 0.36
TNK2 Q07912 1/20 0.36
BRD4 O60885 1/20 0.35
PTPN11 Q06124 1/20 0.35

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
SCHEMBL2978745 0.81 MAPT (0.43) ADORA2AALDH1A1NPC1RAB9ATNK2
SCHEMBL3715881 0.80 AKT1 (0.41) ADORA2AALDH1A1PDE3BPDE3AMEN1
SCHEMBL2978431 0.75 AKT1 (0.49) ADORA2AALDH1A1NPC1RAB9AMEN1
SCHEMBL3707081 0.75 ALDH1A1 (0.39) ADORA2AALDH1A1NPC1RAB9AMEN1
SCHEMBL3808855 0.73 AKT1 (0.51) ADORA2AALDH1A1BRD4
SCHEMBL21322134 0.73 KDM1A (0.56)
SCHEMBL3710762 0.69 XDH (0.40) ADORA2AALDH1A1KMT2AADORA1BRD4
SCHEMBL2972057 0.68 KMT2A (0.46) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL2977680 0.68 AKT1 (0.48) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL21379956 0.68 ADORA2A (1.00) ADORA2AADORA1

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 8 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
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-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
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 ADORA2A 729/4885BTK 72/4885ALDH1A1 2916/4885

“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.