SCHEMBL2772274

SCHEMBL2772274

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.48
APAF1 O14727 9/20 0.48
SENP6 Q9GZR1 9/20 0.48
SENP7 Q9BQF6 8/20 0.48
GAA P10253 7/20 0.48
KDM4E B2RXH2 5/20 0.48
SENP8 Q96LD8 4/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PABPC1 P11940 1/20 0.48
LMNA P02545 6/20 0.44
PPP1CA P62136 3/20 0.44
GALR2 O43603 2/20 0.42
GALR1 P47211 1/20 0.42
HTT P42858 2/20 0.41
MEN1 O00255 3/20 0.40
NSD2 O96028 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CASP3 P42574 1/20 0.40
SAE1 Q9UBE0 1/20 0.40

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
SCHEMBL2772459 0.90 GBA1 (0.47) MAPTAPAF1SENP6SENP7GAA
SCHEMBL2770894 0.90 GALR2 (0.42) MAPTAPAF1SENP6SENP7GAA
SCHEMBL2772473 0.89 GALR2 (0.48) MAPTAPAF1SENP6SENP7GAA
Hydrochloric Acid SCHEMBL2771922 0.89 GBA1 (0.46) MAPTAPAF1SENP6SENP7GAA
SCHEMBL2770859 0.89 GALR2 (0.42) MAPTAPAF1SENP6SENP7GAA
SCHEMBL2772925 0.88 ADORA2A (0.48) MAPTAPAF1SENP6SENP7GAA
SCHEMBL2773512 0.88 PTGS2 (0.52) MAPTAPAF1SENP6SENP7GAA
SCHEMBL2771695 0.88 GALR2 (0.48) MAPTAPAF1SENP6SENP7GAA
SCHEMBL2770914 0.88 GALR2 (0.41) MAPTAPAF1SENP6SENP7GAA
Phosphoric Acid SCHEMBL2773182 0.87 GBA1 (0.45) MAPTAPAF1SENP6SENP7GAA

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 MAPT 4215/4885APAF1 3970/4885SENP6 2610/4885

“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.