SCHEMBL2770929

SCHEMBL2770929

CN(Cc1ccc(Nc2c(NCCNc3cc(N4CCCC4)nc(N4CCCC4)n3)c(=O)c2=O)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 4/20 0.41
MAPT P10636 4/20 0.41
SENP7 Q9BQF6 4/20 0.41
SENP6 Q9GZR1 4/20 0.41
GALR2 O43603 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GALR1 P47211 2/20 0.41
GAA P10253 3/20 0.39
SENP8 Q96LD8 2/20 0.39
PPP1CA P62136 1/20 0.39
GBA1 P04062 1/20 0.38
SLC2A1 P11166 3/20 0.38
HTT P42858 1/20 0.38
CASP1 P29466 2/20 0.37
CASP4 P49662 2/20 0.37
CASP5 P51878 2/20 0.37
PTGS2 P35354 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL2774022 0.90 APAF1 (0.41) APAF1MAPTSENP7SENP6GALR2
SCHEMBL2771642 0.89 APAF1 (0.38) APAF1MAPTSENP7SENP6GALR2
SCHEMBL2772041 0.86 APAF1 (0.42) APAF1MAPTSENP7SENP6GALR2
SCHEMBL2771649 0.85 APAF1 (0.42) APAF1MAPTSENP7SENP6GALR2
SCHEMBL2770936 0.85 APAF1 (0.46) APAF1MAPTSENP7SENP6GALR2
SCHEMBL2772634 0.84 MAPT (0.42) APAF1MAPTSENP7SENP6GALR2
SCHEMBL2773512 0.84 PTGS2 (0.52) APAF1MAPTSENP7SENP6GALR2
SCHEMBL2772925 0.84 ADORA2A (0.48) APAF1MAPTSENP7SENP6GALR2
SCHEMBL2772179 0.84 GALR2 (0.42) APAF1MAPTSENP7SENP6GALR2
SCHEMBL2770914 0.84 GALR2 (0.41) APAF1MAPTSENP7SENP6GALR2

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 3 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 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 APAF1 3970/4885MAPT 4215/4885SENP7 2789/4885

“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.