SCHEMBL2964886

SCHEMBL2964886

Cc1cc2nc(O)c(-c3ccccc3)c(O)n2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 5/20 0.44
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
HTT P42858 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 3/20 0.41
POLB P06746 2/20 0.41
GPR55 Q9Y2T6 1/20 0.40
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
BTK Q06187 1/20 0.39
MRGPRX2 Q96LB1 1/20 0.39
AURKA O14965 1/20 0.39

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
SCHEMBL2976698 0.78 KDM4E (0.60) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL237575 0.78 NPC1 (0.47) NPC1RAB9AMAPTKDM4EKMT2A
SCHEMBL25294433 0.77 KDM4E (0.50) NPC1RAB9AMAPTKDM4EKMT2A
SCHEMBL360770 0.75 MAPT (0.41) NPC1RAB9AMAPTKDM4EKMT2A
SCHEMBL5789837 0.75 POLB (0.38) KDM4EKMT2AALDH1A1HPGDHTT
SCHEMBL13541890 0.74 MAPT (0.55) NPC1RAB9AMAPTKDM4EKMT2A
SCHEMBL238696 0.73 AURKA (0.43) NPC1RAB9AMAPTKDM4EKMT2A
SCHEMBL2971343 0.73 RAB9A (0.47) NPC1RAB9AMAPTKDM4EKMT2A
SCHEMBL25974258 0.72 MAPT (0.69) NPC1RAB9AMAPTKDM4EKMT2A
SCHEMBL1665475 0.71 MAPT (0.63) NPC1RAB9AMAPTKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396330-B1 FUSED PYRIMIDINES BAYER IP GMBH (DE) 2016-04-06 EP disclosed
US-8957064-B2 Fused pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (US) 2015-02-17 US disclosed
US-8614218-B2 Fused bicyclic pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-24 US disclosed
US-20130317002-A1 FUSED PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-28 US disclosed
EP-2188291-B1 FUSED BICYCLIC PYRIMIDINES Bayer Pharma AG (DE) 2012-09-19 EP disclosed
EP-2396330-A1 FUSED PYRIMIDINES Bayer Pharma Aktiengesellschaft (DE) 2011-12-21 EP disclosed
WO-2010091808-A1 FUSED PYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-19 WO disclosed
US-7776864-B2 Fused bicyclic pyrimidines BAYER SCHERING PHARMA AG (DE) 2010-08-17 US disclosed
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-07-22 US disclosed
EP-2188291-A2 FUSED BICYCLIC PYRIMIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2010-05-26 EP disclosed
US-20090137607-A1 FUSED BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-05-28 US disclosed
WO-2009021992-A2 FUSED BICYCLIC PYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-19 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 (3 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-20090137607-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR NPC1 2570/4885RAB9A 1202/4885MAPT 616/4885
US-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS NPC1 1403/4885RAB9A 933/4885MAPT 393/4885
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR NPC1 2570/4885RAB9A 1202/4885MAPT 616/4885

“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.