SCHEMBL3304147

SCHEMBL3304147

CCOC(=O)N1Cc2nc(N)nc(OCc3ccccn3)c2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MGMT P16455 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.41
TLR7 Q9NYK1 5/20 0.41
OPRD1 P41143 1/20 0.41
NOS2 P35228 1/20 0.40
TLR8 Q9NR97 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
MDM2 Q00987 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PARP10 Q53GL7 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
GRM5 P41594 1/20 0.37

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
SCHEMBL12811486 0.87 MGMT (0.47) ALDH1A1KDM4EMGMTTLR7TLR8
SCHEMBL1425497 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EPTGDR2MEN1MAPT
SCHEMBL1425564 0.77 KDM5A (0.39) ALDH1A1PTGDR2HSP90AA1HSP90AB1
SCHEMBL1425516 0.76 ALDH1A1 (0.41) ALDH1A1KDM4EHSP90AA1HSP90AB1MEN1
SCHEMBL13495928 0.75 KDM4E (0.40) ALDH1A1KDM4EMEN1MAPTMAPK1
SCHEMBL1425708 0.75 AGXT (0.42) HSP90AA1HSP90AB1
SCHEMBL1425991 0.74 ALDH1A1 (0.42) ALDH1A1MEN1MAPTMAPK1KMT2A
SCHEMBL1425756 0.73 ALDH1A1 (0.44) ALDH1A1HSP90AA1HSP90AB1MEN1MAPT
SCHEMBL1425313 0.72 MAPT (0.38) ALDH1A1KDM4EHSP90AA1HSP90AB1MEN1
SCHEMBL1425480 0.72 KDM4E (0.38) ALDH1A1KDM4EHSP90AA1HSP90AB1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS PFIZER INC. 2010-04-15 US disclosed
US-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS PFIZER INC. 2010-04-15 US disclosed
US-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS PFIZER INC. 2010-04-15 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 (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-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS HSP90AB2P, HSP90AB1, HSP90AA1 ALDH1A1 771/4885KDM4E 3595/4885MGMT 2010/4885

“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.