SCHEMBL2969079

SCHEMBL2969079

Nc1nc2nc(Cl)c(-c3ccccc3)c(Cl)n2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.49
PDPK1 O15530 1/20 0.43
NUDT1 P36639 1/20 0.43
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
ALDH1A1 P00352 9/20 0.40
HPGD P15428 6/20 0.40

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
SCHEMBL361527 0.83 MAPT (0.38) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL7997823 0.82 NUDT1 (0.43) KDM4ENUDT1ALDH1A1HPGDHSD17B10
SCHEMBL2964035 0.78 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL2964668 0.78 PTGS1 (0.36) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL10279750 0.77 PDE4D (0.42) TP53
SCHEMBL364249 0.75 AKT1 (0.43) KDM4EALDH1A1HPGDHSD17B10NPC1
Dimethylamine SCHEMBL8007963 0.74 ALDH1A1 (0.32) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL868326 0.73 KDM4E (0.49) KDM4EALDH1A1HPGDMAPK1GAA
SCHEMBL8007955 0.73 NPC1 (0.32) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2964669 0.72 KDM4E (0.49) KDM4EPDPK1NUDT1MAP4K4PAK4

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 11 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
US-20090137607-A1 FUSED BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-05-28 US 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 3173/4885PDPK1 63/4885NUDT1 69/4885
US-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS KDM4E 3716/4885PDPK1 115/4885NUDT1 23/4885
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR KDM4E 3173/4885PDPK1 63/4885NUDT1 69/4885

“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.