SCHEMBL2772634

SCHEMBL2772634

CCCc1ccc(Nc2c(NCCNc3cc(N4CCCC4)nc(N4CCCC4)n3)c(=O)c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
GALR2 O43603 5/20 0.42
APAF1 O14727 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
SENP7 Q9BQF6 3/20 0.42
SENP6 Q9GZR1 3/20 0.42
GALR1 P47211 3/20 0.42
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CASP1 P29466 1/20 0.40
CASP4 P49662 1/20 0.40
CASP5 P51878 1/20 0.40
GAA P10253 3/20 0.38
PPP1CA P62136 1/20 0.38
SENP8 Q96LD8 1/20 0.38
HTT P42858 2/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38

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
SCHEMBL2771443 0.90 SENP6 (0.44) MAPTGALR2APAF1SMN1; SMN2SENP7
Hydrochloric Acid SCHEMBL2772212 0.90 SENP6 (0.43) MAPTGALR2APAF1SMN1; SMN2SENP7
SCHEMBL2772179 0.89 GALR2 (0.42) MAPTGALR2APAF1SMN1; SMN2SENP7
SCHEMBL2770914 0.88 GALR2 (0.41) MAPTGALR2APAF1SMN1; SMN2SENP7
Hydrochloric Acid SCHEMBL2984492 0.88 GALR2 (0.41) MAPTGALR2APAF1SMN1; SMN2SENP7
Hydrochloric Acid SCHEMBL2773494 0.87 GALR2 (0.41) MAPTGALR2APAF1SMN1; SMN2SENP7
SCHEMBL2770936 0.87 APAF1 (0.46) MAPTGALR2APAF1SMN1; SMN2SENP7
SCHEMBL2770894 0.86 GALR2 (0.42) MAPTGALR2APAF1SMN1; SMN2SENP7
SCHEMBL2772459 0.86 GBA1 (0.47) MAPTGALR2APAF1SMN1; SMN2SENP7
SCHEMBL2772274 0.86 MAPT (0.48) MAPTGALR2APAF1SMN1; SMN2SENP7

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 4215/4885GALR2 4657/4885APAF1 3970/4885

“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.