SCHEMBL2977753

SCHEMBL2977753

CN(C)c1nc2nc(-c3ccc(C=O)cc3)c(-c3ccccc3)cn2n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
USP2 O75604 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
THRB P10828 1/20 0.37
AKT1 P31749 15/20 0.36
AKT2 P31751 12/20 0.36
NUDT1 P36639 1/20 0.35
PSMB5 P28074 1/20 0.34

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
SCHEMBL2974749 0.85 AKT1 (0.47) MEN1KMT2AKDM4EUSP2L3MBTL1
SCHEMBL2975626 0.82 MEN1 (0.42) MEN1KMT2AKDM4EUSP2L3MBTL1
SCHEMBL3708265 0.81 AKT1 (0.47) MEN1KMT2AKDM4EUSP2L3MBTL1
SCHEMBL2970584 0.81 MEN1 (0.40) MEN1KMT2AKDM4EUSP2L3MBTL1
SCHEMBL3702899 0.81 AKT1 (0.47) MEN1KMT2AKDM4EUSP2L3MBTL1
SCHEMBL2970175 0.81 AKT1 (0.50) MEN1KMT2AKDM4EUSP2L3MBTL1
SCHEMBL867869 0.79 AKT1 (0.56) AKT1AKT2
SCHEMBL3706839 0.79 KDM4E (0.46) MEN1KMT2AKDM4EUSP2L3MBTL1
SCHEMBL3710254 0.79 AKT1 (0.40) MEN1KMT2AKDM4EUSP2L3MBTL1
SCHEMBL3705742 0.79 AKT1 (0.49) MEN1KMT2AKDM4EUSP2L3MBTL1

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-8957064-B2 Fused pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (US) 2015-02-17 US 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

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 MEN1 3144/4885KMT2A 3129/4885KDM4E 3173/4885
US-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS MEN1 2578/4885KMT2A 3814/4885KDM4E 3716/4885
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR MEN1 3144/4885KMT2A 3129/4885KDM4E 3173/4885

“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.