SCHEMBL2772925

SCHEMBL2772925

CC(=O)Nc1ccc(Nc2c(NCCNc3cc(N4CCCC4)nc(N4CCCC4)n3)c(=O)c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.48
ADORA1 P30542 3/20 0.48
RAD52 P43351 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
GAA P10253 5/20 0.42
MAPT P10636 4/20 0.42
APAF1 O14727 3/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
PPP1CA P62136 1/20 0.42
SENP8 Q96LD8 1/20 0.42
GALR2 O43603 2/20 0.42
GALR1 P47211 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC2A1 P11166 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41

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
SCHEMBL2773512 0.90 PTGS2 (0.52) ADORA2AADORA1GAAMAPTAPAF1
SCHEMBL2772274 0.88 MAPT (0.48) ADORA2AADORA1BLMGAAMAPT
SCHEMBL2770894 0.86 GALR2 (0.42) BLMGAAMAPTAPAF1SENP7
SCHEMBL2772459 0.86 GBA1 (0.47) GAAMAPTAPAF1SENP7SENP6
SCHEMBL2772473 0.86 GALR2 (0.48) BLMGAAMAPTAPAF1SENP7
SCHEMBL2773511 0.85 GALR2 (0.59) GAAMAPTAPAF1SENP7SENP6
SCHEMBL2770859 0.85 GALR2 (0.42) GAAMAPTAPAF1SENP7SENP6
Hydrochloric Acid SCHEMBL2771922 0.85 GBA1 (0.46) GAAMAPTAPAF1SENP7SENP6
SCHEMBL2772634 0.85 MAPT (0.42) ADORA2AADORA1GAAMAPTAPAF1
SCHEMBL2772179 0.85 GALR2 (0.42) GAAMAPTAPAF1SENP7SENP6

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
US-20100173910-A1 TRIAMINOPYRIMIDINE CYCLOBUTENEDIONE DERIVATIVES USED AS PHOSPHATASE CDC25 INHIBITORS IPDRN PHSTMS D.S.S. (FR) 2010-07-08 US 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 ADORA2A 1131/4885ADORA1 1795/4885RAD52 775/4885

“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.