SCHEMBL20109483

SCHEMBL20109483

CN(C)c1nc(N)nc2c1CCCN2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.45
CHRM3 P20309 2/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSP90AA1 P07900 1/20 0.31
NUDT1 P36639 1/20 0.31
KDR P35968 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL9039446 0.75 UHRF1 (0.43) UHRF1CHRM3PDE4APDE4BPDE4C
SCHEMBL6455478 0.71 KDM4E (0.60) KDM4ENUDT1NOS3NOS1NOS2
SCHEMBL31712947 0.67 UHRF1 (0.46) UHRF1CHRM3PDE4APDE4BPDE4C
SCHEMBL13686502 0.66 HRH4 (0.49) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL15757353 0.66 NUDT1 (0.64) UHRF1NUDT1
SCHEMBL9038007 0.66 UHRF1 (0.39) UHRF1KDR
SCHEMBL12481059 0.66 KDR (0.45) UHRF1KDRNOS3NOS1NOS2
SCHEMBL16916462 0.64 UHRF1 (0.43) UHRF1CHRM3PDE4APDE4BPDE4C
SCHEMBL9038638 0.64 MPO (0.46) UHRF1KDR
SCHEMBL9038000 0.64 GRM5 (0.41) UHRF1KDM4EKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118721-A1 PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-05-03 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-20180118721-A1 PYRIMIDINE DERIVATIVES MTHFD1, TYMS, DPYD UHRF1 931/4885CHRM3 4671/4885PDE4A 2589/4885

“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.