SCHEMBL2773991

SCHEMBL2773991

NCCNc1cc(N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.50
CASP1 P29466 4/20 0.49
CASP5 P51878 4/20 0.49
CASP4 P49662 3/20 0.49
SENP6 Q9GZR1 9/20 0.47
SENP7 Q9BQF6 8/20 0.47
HRH4 Q9H3N8 2/20 0.46
APAF1 O14727 8/20 0.45
MAPT P10636 8/20 0.45
GAA P10253 6/20 0.45
SENP8 Q96LD8 5/20 0.45
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
PABPC1 P11940 1/20 0.45
KMT2A Q03164 1/20 0.45
PPP1CA P62136 3/20 0.44
NUDT1 P36639 2/20 0.44
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
NSD2 O96028 2/20 0.43

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
SCHEMBL2785735 0.89 KMT5A (0.51) CXCR4CASP1CASP5CASP4SENP6
SCHEMBL3476846 0.86 CASP1 (0.50) CASP1CASP5CASP4SENP6SENP7
SCHEMBL9215848 0.85 HRH4 (0.56) CASP1CASP5CASP4SENP6SENP7
SCHEMBL2773622 0.84 HRH4 (0.44) CXCR4CASP1CASP5CASP4SENP6
SCHEMBL2775160 0.83 HRH4 (0.43) CXCR4CASP1CASP5CASP4SENP6
SCHEMBL2773827 0.82 HRH4 (0.43) CASP1CASP5CASP4SENP6SENP7
SCHEMBL2772133 0.82 HRH4 (0.42) CASP1CASP5CASP4SENP6SENP7
SCHEMBL3475816 0.81 HRH4 (0.46) CASP1CASP5CASP4SENP6SENP7
SCHEMBL2991706 0.78 CXCR4 (0.44) CXCR4HRH4SMN1; SMN2NUDT1
SCHEMBL8963280 0.78 ALDH1A1 (0.49) CASP1CASP5CASP4HRH4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010130900-A2 TRIAMINOPYRIMIDINE DERIVATIVES AS CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA S.A.S. (FR) 2010-11-18 WO disclosed
US-20100173910-A1 TRIAMINOPYRIMIDINE CYCLOBUTENEDIONE DERIVATIVES USED AS PHOSPHATASE CDC25 INHIBITORS IPDRN PHSTMS D.S.S. (FR) 2010-07-08 US disclosed
EP-2178848-A1 TRI-AMINO-PYRIMIDINE CYCLOBUTENEDIONE DERIVATIVES USED AS PHOSPHATASE CDC25 INHIBITORS IPSEN PHARMA S.A.S. (FR) 2010-04-28 EP disclosed
WO-2009034258-A1 TRI-AMINO-PYRIMIDINE CYCLOBUTENEDIONE DERIVATIVES USED AS PHOSPHATASE CDC25 INHIBITORS IPSEN PHARMA S.A.S. (FR) 2009-03-19 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-20100173910-A1 TRIAMINOPYRIMIDINE CYCLOBUTENEDIONE DERIVATIVES USED AS PHOSPHATASE CDC25 INHIBITORS CDC25B, CDC25A, CDC25C CXCR4 1151/4885CASP1 4179/4885CASP5 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.