SCHEMBL2772473

SCHEMBL2772473

O=c1c(NCCNc2cc(N3CCCC3)nc(N3CCCC3)n2)c(Nc2ccccc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 5/20 0.48
GALR1 P47211 2/20 0.48
SENP6 Q9GZR1 4/20 0.47
SENP7 Q9BQF6 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
APAF1 O14727 2/20 0.46
MAPT P10636 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 2/20 0.45
GBA1 P04062 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
CASP1 P29466 2/20 0.44
CASP5 P51878 2/20 0.44
CASP4 P49662 1/20 0.44
SENP8 Q96LD8 1/20 0.43
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NSD2 O96028 1/20 0.41
THRB P10828 1/20 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
SCHEMBL2771695 0.94 GALR2 (0.48) GALR2GALR1SENP6SENP7SMN1; SMN2
SCHEMBL2770894 0.89 GALR2 (0.42) GALR2GALR1SENP6SENP7SMN1; SMN2
SCHEMBL2772459 0.89 GBA1 (0.47) GALR2GALR1SENP6SENP7SMN1; SMN2
SCHEMBL2772274 0.89 MAPT (0.48) GALR2GALR1SENP6SENP7SMN1; SMN2
SCHEMBL2773339 0.89 HDAC1 (0.46) GALR2GALR1SENP6SENP7SMN1; SMN2
SCHEMBL2772552 0.89 GBA1 (0.51) GALR2GALR1SENP6SENP7SMN1; SMN2
SCHEMBL2770859 0.89 GALR2 (0.42) GALR2GALR1SENP6SENP7SMN1; SMN2
Hydrochloric Acid SCHEMBL2771922 0.89 GBA1 (0.46) GALR2GALR1SENP6SENP7SMN1; SMN2
SCHEMBL2770914 0.88 GALR2 (0.41) GALR2GALR1SENP6SENP7SMN1; SMN2
SCHEMBL2773511 0.87 GALR2 (0.59) GALR2GALR1SENP6SENP7SMN1; SMN2

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 GALR2 4657/4885GALR1 4628/4885SENP6 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.