SCHEMBL2770894

SCHEMBL2770894

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 4/20 0.42
GALR1 P47211 2/20 0.42
CCNE1 P24864 4/20 0.41
CDK2 P24941 4/20 0.41
HTR2C P28335 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
HTR2A P28223 1/20 0.40
SENP6 Q9GZR1 5/20 0.39
SENP7 Q9BQF6 4/20 0.39
MAPT P10636 4/20 0.39
APAF1 O14727 3/20 0.39
GAA P10253 2/20 0.39
PPP1CA P62136 2/20 0.39
SENP8 Q96LD8 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL2773544 0.91 SENP6 (0.37) GALR2GALR1NPSR1SENP6SENP7
SCHEMBL2772459 0.90 GBA1 (0.47) GALR2GALR1SENP6SENP7MAPT
SCHEMBL2772274 0.90 MAPT (0.48) GALR2GALR1SENP6SENP7MAPT
SCHEMBL2772473 0.89 GALR2 (0.48) GALR2GALR1NPSR1SENP6SENP7
SCHEMBL2772431 0.89 CASP1 (0.47) GALR2GALR1SENP6SENP7MAPT
SCHEMBL2770859 0.89 GALR2 (0.42) GALR2GALR1NPSR1SENP6SENP7
Hydrochloric Acid SCHEMBL2771922 0.89 GBA1 (0.46) GALR2GALR1SENP6SENP7MAPT
SCHEMBL2770914 0.88 GALR2 (0.41) GALR2GALR1NPSR1SENP6SENP7
SCHEMBL2771695 0.88 GALR2 (0.48) GALR2GALR1SENP6SENP7MAPT
SCHEMBL2771901 0.87 MAP3K8 (0.40) GALR2GALR1SENP6SENP7MAPT

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 4628/4885CCNE1 36/4885

“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.