SCHEMBL2969018

SCHEMBL2969018

Oc1nc2ccnn2c(O)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.38
CDK2 P24941 4/20 0.37
CCNE1 P24864 2/20 0.37
HTR1D P28221 2/20 0.36
HTR3A P46098 2/20 0.36
HTR6 P50406 2/20 0.36
TMEM97 Q5BJF2 2/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR1B P28222 1/20 0.36
MAPK8 P45983 1/20 0.36
SLC6A3 Q01959 1/20 0.36
BTK Q06187 1/20 0.36
MRGPRX2 Q96LB1 1/20 0.36
ADRA1B P35368 1/20 0.36
KCNN3 Q9UGI6 2/20 0.35
KCNN1 Q92952 1/20 0.35
KCNN2 Q9H2S1 1/20 0.35
PDE10A Q9Y233 1/20 0.35
NUDT1 P36639 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
SCHEMBL29152863 0.73 RAD52 (0.49) RAD52CDK2CCNE1HTR1DHTR3A
SCHEMBL2964886 0.73 NPC1 (0.47) MAPK8BTKMRGPRX2ALDH1A1MEN1
SCHEMBL868954 0.72 KDM4E (0.49) ALDH1A1
SCHEMBL1487823 0.72 PDE10A (0.39) RAD52CDK2CCNE1KCNN3PDE10A
SCHEMBL15690546 0.72 PDE10A (0.39) CDK2CCNE1MAPK8PDE10APIM1
SCHEMBL2968218 0.70 PDE10A (0.42) RAD52CDK2CCNE1HTR1DHTR3A
SCHEMBL13225458 0.69 PDE10A (0.41) CDK2HTR1DHTR3AHTR6TMEM97
SCHEMBL5239519 0.68 PDE10A (0.38) CDK2CCNE1KCNN3PDE10APDE4B
SCHEMBL14013818 0.68 PDE10A (0.39) KCNN3KCNN1KCNN2PDE10APIM1
SCHEMBL17966386 0.68 ALDH1A1 (0.55) RAD52CDK2CCNE1HTR1DHTR3A

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
EP-2050748-A1 Novel fused pyrimidines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-22 EP 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 RAD52 1690/4885CDK2 8/4885CCNE1 161/4885
US-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS RAD52 2542/4885CDK2 19/4885CCNE1 191/4885
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR RAD52 1690/4885CDK2 8/4885CCNE1 161/4885

“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.