SCHEMBL3702899

SCHEMBL3702899

CSc1nc2nc(-c3ccc(C=O)cc3)c(-c3ccccc3)cn2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.47
AKT2 P31751 7/20 0.47
ALDH1A1 P00352 8/20 0.46
NPSR1 Q6W5P4 3/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 8/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
USP2 O75604 2/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 2/20 0.38
THRB P10828 1/20 0.37
LMNA P02545 2/20 0.36

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) AKT1AKT2ALDH1A1NPSR1KDM4E
SCHEMBL3702122 0.82 AKT1 (0.54) AKT1AKT2ALDH1A1NPSR1HTT
SCHEMBL2975626 0.82 MEN1 (0.42) AKT1AKT2ALDH1A1KDM4EMEN1
SCHEMBL3708265 0.81 AKT1 (0.47) AKT1AKT2ALDH1A1KDM4EMEN1
SCHEMBL2970175 0.81 AKT1 (0.50) AKT1AKT2ALDH1A1KDM4EMEN1
SCHEMBL2977753 0.81 MEN1 (0.40) AKT1AKT2ALDH1A1KDM4EMEN1
SCHEMBL2970584 0.81 MEN1 (0.40) AKT1AKT2ALDH1A1KDM4EMEN1
SCHEMBL867493 0.79 AKT1 (0.56) AKT1AKT2
SCHEMBL3706839 0.79 KDM4E (0.46) AKT1AKT2ALDH1A1HTTKDM4E
SCHEMBL3705742 0.79 AKT1 (0.49) AKT1AKT2ALDH1A1KDM4EMEN1

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 9 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
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-20130317002-A1 FUSED PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-28 US 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
WO-2010091808-A1 FUSED PYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-19 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 (1 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-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS AKT1 5/4885AKT2 4/4885ALDH1A1 3442/4885

“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.