SCHEMBL2991706

SCHEMBL2991706

CCN(CC)c1nc(NCCN)cc(N2CCCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.44
NUDT1 P36639 3/20 0.42
HRH4 Q9H3N8 4/20 0.41
HDAC1 Q13547 6/20 0.37
CHRM3 P20309 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
HDAC6 Q9UBN7 4/20 0.35
PIM1 P11309 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL2773991 0.78 CXCR4 (0.50) CXCR4NUDT1HRH4SMN1; SMN2
SCHEMBL13425419 0.75 CRHBP (0.53) CRHBPCRHR2SMN1; SMN2
SCHEMBL9073284 0.74 CASP1 (0.58) HRH4CHRM3PDE4APDE4BPDE4C
SCHEMBL2982745 0.74 L3MBTL1 (0.40) HRH4CHRM3PDE4APDE4BPDE4C
SCHEMBL9073321 0.72 CASP1 (0.57) HRH4CHRM3PDE4APDE4BPDE4C
SCHEMBL9182459 0.70 NUDT1 (0.67) NUDT1HRH4CRHBPCRHR2SMN1; SMN2
SCHEMBL2773622 0.70 HRH4 (0.44) CXCR4NUDT1HRH4SMN1; SMN2
SCHEMBL2775160 0.69 HRH4 (0.43) CXCR4NUDT1HRH4SMN1; SMN2
SCHEMBL7718039 0.69 MEN1 (0.56) CXCR4NUDT1HRH4HDAC1CHRM3
SCHEMBL2785735 0.68 KMT5A (0.51) CXCR4NUDT1HRH4HDAC1HDAC6

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-20100173910-A1 TRIAMINOPYRIMIDINE CYCLOBUTENEDIONE DERIVATIVES USED AS PHOSPHATASE CDC25 INHIBITORS IPDRN PHSTMS D.S.S. (FR) 2010-07-08 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-20100173910-A1 TRIAMINOPYRIMIDINE CYCLOBUTENEDIONE DERIVATIVES USED AS PHOSPHATASE CDC25 INHIBITORS CDC25B, CDC25A, CDC25C CXCR4 1151/4885NUDT1 1139/4885HRH4 2025/4885

“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.