SCHEMBL2773511

SCHEMBL2773511

COc1ccc(Nc2c(NCCNc3cc(N4CCCC4)nc(N4CCCC4)n3)c(=O)c2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 14/20 0.59
GALR1 P47211 5/20 0.59
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
APAF1 O14727 1/20 0.51
NSD2 O96028 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
SAE1 Q9UBE0 1/20 0.51
UBA2 Q9UBT2 1/20 0.51
GBA1 P04062 1/20 0.49
MAPK1 P28482 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
SLC2A1 P11166 1/20 0.45

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
SCHEMBL2815529 0.90 HSD17B10 (0.49) GALR2GALR1GAAMAPTKDM4E
SCHEMBL2773359 0.90 GALR2 (0.56) GALR2GALR1GAAMAPTKDM4E
SCHEMBL2770894 0.87 GALR2 (0.42) GALR2GALR1GAAMAPTAPAF1
SCHEMBL2772274 0.87 MAPT (0.48) GALR2GALR1GAAMAPTKDM4E
SCHEMBL2772459 0.87 GBA1 (0.47) GALR2GALR1GAAMAPTKDM4E
SCHEMBL2772473 0.87 GALR2 (0.48) GALR2GALR1GAAMAPTKDM4E
Hydrochloric Acid SCHEMBL2771922 0.86 GBA1 (0.46) GALR2GALR1GAAMAPTKDM4E
SCHEMBL2770859 0.86 GALR2 (0.42) GALR2GALR1GAAMAPTAPAF1
SCHEMBL2773512 0.85 PTGS2 (0.52) GALR2GALR1GAAMAPTKDM4E
SCHEMBL2772634 0.85 MAPT (0.42) GALR2GALR1GAAMAPTAPAF1

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 GALR2 4657/4885GALR1 4628/4885GAA 2141/4885

“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.