SCHEMBL2772459

SCHEMBL2772459

O=c1c(NCCNc2cc(N3CCCC3)nc(N3CCCC3)n2)c(Nc2ccc(Cl)cc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.47
GALR2 O43603 2/20 0.42
GALR1 P47211 1/20 0.42
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
CHEK1 O14757 1/20 0.39
MAP4K4 O95819 1/20 0.39
CHEK2 O96017 1/20 0.39
PRKCG P05129 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 1/20 0.39
AKT1 P31749 1/20 0.39
FLT4 P35916 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
RPS6KA3 P51812 1/20 0.39
NEK4 P51957 1/20 0.39
CSNK1G2 P78368 1/20 0.39

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
Hydrochloric Acid SCHEMBL2771922 0.99 GBA1 (0.46) GBA1GALR2GALR1LMNAKDM4E
Phosphoric Acid SCHEMBL2773182 0.95 GBA1 (0.45) GBA1GALR2GALR1LMNAKDM4E
Sulfuric Acid SCHEMBL2772420 0.95 GBA1 (0.45) GBA1GALR2GALR1LMNAKDM4E
Fumaric Acid SCHEMBL2776188 0.93 GBA1 (0.43) GBA1GALR2GALR1LMNAKDM4E
Maleic Acid SCHEMBL2776187 0.93 GBA1 (0.43) GBA1GALR2GALR1LMNAKDM4E
SCHEMBL2771918 0.92 GBA1 (0.42) GBA1GALR2GALR1LMNAKDM4E
SCHEMBL2772274 0.90 MAPT (0.48) GBA1GALR2GALR1LMNAKDM4E
SCHEMBL2770894 0.90 GALR2 (0.42) GALR2GALR1LMNAALDH1A1SENP6
SCHEMBL2772473 0.89 GALR2 (0.48) GBA1GALR2GALR1LMNAKDM4E
SCHEMBL2772552 0.89 GBA1 (0.51) GBA1GALR2GALR1LMNAHTT

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 GBA1 3722/4885GALR2 4657/4885GALR1 4628/4885

“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.