SCHEMBL2773544

SCHEMBL2773544

O=c1c(NCCNc2cc(N3CCCC3)nc(N3CCCC3)n2)c(Nc2cc(F)cc(F)c2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP6 Q9GZR1 10/20 0.37
SENP7 Q9BQF6 9/20 0.37
APAF1 O14727 9/20 0.37
MAPT P10636 9/20 0.37
GAA P10253 7/20 0.37
SENP8 Q96LD8 6/20 0.37
PPP1CA P62136 3/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
GALR2 O43603 1/20 0.37
GALR1 P47211 1/20 0.37
LMNA P02545 4/20 0.36
CASP1 P29466 2/20 0.36
CASP4 P49662 2/20 0.36
CASP5 P51878 2/20 0.36
KDM4E B2RXH2 5/20 0.35
KMT2A Q03164 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
PABPC1 P11940 1/20 0.35
HTT P42858 3/20 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
SCHEMBL2770894 0.91 GALR2 (0.42) SENP6SENP7APAF1MAPTGAA
SCHEMBL2772473 0.86 GALR2 (0.48) SENP6SENP7APAF1MAPTGAA
SCHEMBL2772274 0.84 MAPT (0.48) SENP6SENP7APAF1MAPTGAA
SCHEMBL2772459 0.84 GBA1 (0.47) SENP6SENP7APAF1MAPTGAA
SCHEMBL2771901 0.84 MAP3K8 (0.40) SENP6SENP7APAF1MAPTGAA
SCHEMBL2772431 0.84 CASP1 (0.47) SENP6SENP7APAF1MAPTGAA
Hydrochloric Acid SCHEMBL2771922 0.83 GBA1 (0.46) SENP6SENP7APAF1MAPTGAA
SCHEMBL2770859 0.83 GALR2 (0.42) SENP6SENP7APAF1MAPTGAA
SCHEMBL2772981 0.83 GALR2 (0.42) SENP6SENP7APAF1MAPTGAA
SCHEMBL2771695 0.82 GALR2 (0.48) SENP6SENP7APAF1MAPTGAA

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 6 patents. 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 claimed
EP-2178848-A1 TRI-AMINO-PYRIMIDINE CYCLOBUTENEDIONE DERIVATIVES USED AS PHOSPHATASE CDC25 INHIBITORS IPSEN PHARMA S.A.S. (FR) 2010-04-28 EP claimed
WO-2009034258-A1 TRI-AMINO-PYRIMIDINE CYCLOBUTENEDIONE DERIVATIVES USED AS PHOSPHATASE CDC25 INHIBITORS IPSEN PHARMA S.A.S. (FR) 2009-03-19 WO claimed
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 SENP6 2610/4885SENP7 2789/4885APAF1 3970/4885

“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.