SCHEMBL2964669

SCHEMBL2964669

Nc1nc2nc(O)c(-c3ccccc3)c(O)n2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
NUDT1 P36639 1/20 0.46
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
GRK5 P34947 1/20 0.41
MAPK8 P45983 1/20 0.41
CSNK1A1 P48729 1/20 0.41
ACVR1 Q04771 1/20 0.41
PTK2 Q05397 1/20 0.41
TYRO3 Q06418 1/20 0.41
MAP4K2 Q12851 1/20 0.41
DYRK1A Q13627 1/20 0.41
IKBKE Q14164 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
PDPK1 O15530 1/20 0.40
ALDH1A1 P00352 6/20 0.38
SMN1; SMN2 Q16637 4/20 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
SCHEMBL360770 0.83 MAPT (0.41) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL2970170 0.78 PTGS1 (0.36) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL868954 0.73 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL8013744 0.73 MAPT (0.32) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL2969079 0.72 KDM4E (0.49) KDM4ENUDT1MAP4K4PAK4CSF1R
SCHEMBL12496375 0.72 ADORA2A (0.52) KDM4ENUDT1CSNK1A1CLK4ALDH1A1
SCHEMBL2979080 0.70 MAPT (0.48) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL2969018 0.68 RAD52 (0.38) NUDT1MAPK8ALDH1A1KMT2AMEN1
SCHEMBL2964886 0.68 NPC1 (0.47) KDM4EMAPK8ALDH1A1SMN1; SMN2MAPT
SCHEMBL1031028 0.67 DHFR (0.56) KDM4ECSNK1A1CLK4ALDH1A1SMN1; SMN2

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 13 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
WO-2000009508-A1 TRIAZOLOPYRIMIDINE DERIVATIVES NIHON BAYER AGROCHEM K.K. (DE) 2000-02-24 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 KDM4E 3173/4885NUDT1 69/4885MAP4K4 300/4885
US-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS KDM4E 3716/4885NUDT1 23/4885MAP4K4 512/4885
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR KDM4E 3173/4885NUDT1 69/4885MAP4K4 300/4885

“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.