SCHEMBL2770914

SCHEMBL2770914

NCc1ccc(Nc2c(NCCNc3cc(N4CCCC4)nc(N4CCCC4)n3)c(=O)c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 6/20 0.41
GALR1 P47211 3/20 0.41
SENP6 Q9GZR1 7/20 0.39
MAPT P10636 7/20 0.39
SENP7 Q9BQF6 6/20 0.39
APAF1 O14727 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
SENP8 Q96LD8 4/20 0.38
LMNA P02545 3/20 0.38
PPP1CA P62136 2/20 0.38
GAA P10253 4/20 0.37
CASP1 P29466 4/20 0.36
CASP5 P51878 4/20 0.36
CASP4 P49662 3/20 0.36
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 2/20 0.36
PABPC1 P11940 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.35
NSD2 O96028 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
Hydrochloric Acid SCHEMBL2773494 0.99 GALR2 (0.41) GALR2GALR1SENP6MAPTSENP7
SCHEMBL2771443 0.92 SENP6 (0.44) GALR2GALR1SENP6MAPTSENP7
Hydrochloric Acid SCHEMBL2772212 0.91 SENP6 (0.43) GALR2GALR1SENP6MAPTSENP7
SCHEMBL2772179 0.88 GALR2 (0.42) GALR2GALR1SENP6MAPTSENP7
SCHEMBL2772634 0.88 MAPT (0.42) GALR2GALR1SENP6MAPTSENP7
SCHEMBL2772274 0.88 MAPT (0.48) GALR2GALR1SENP6MAPTSENP7
SCHEMBL2770894 0.88 GALR2 (0.42) GALR2GALR1SENP6MAPTSENP7
SCHEMBL2772459 0.88 GBA1 (0.47) GALR2GALR1SENP6MAPTSENP7
SCHEMBL2772473 0.88 GALR2 (0.48) GALR2GALR1SENP6MAPTSENP7
Hydrochloric Acid SCHEMBL2984492 0.87 GALR2 (0.41) GALR2GALR1SENP6MAPTSENP7

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 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.