SCHEMBL2770859

SCHEMBL2770859

N#Cc1ccc(Nc2c(NCCNc3cc(N4CCCC4)nc(N4CCCC4)n3)c(=O)c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 2/20 0.42
GALR1 P47211 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
CNR1 P21554 1/20 0.39
EGLN2 Q96KS0 2/20 0.38
SENP6 Q9GZR1 5/20 0.38
SENP7 Q9BQF6 4/20 0.38
APAF1 O14727 3/20 0.38
MAPT P10636 3/20 0.38
ABCB1 P08183 2/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
PPP1CA P62136 2/20 0.38
SENP8 Q96LD8 2/20 0.38
ABCC1 P33527 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL2772274 0.89 MAPT (0.48) GALR2GALR1HRH4SENP6SENP7
SCHEMBL2770894 0.89 GALR2 (0.42) GALR2GALR1NPSR1SENP6SENP7
SCHEMBL2772459 0.89 GBA1 (0.47) GALR2GALR1CNR1SENP6SENP7
SCHEMBL2772473 0.89 GALR2 (0.48) GALR2GALR1NPSR1SENP6SENP7
Hydrochloric Acid SCHEMBL2771922 0.88 GBA1 (0.46) GALR2GALR1CNR1SENP6SENP7
SCHEMBL2772179 0.87 GALR2 (0.42) GALR2GALR1NPSR1HRH4SENP6
SCHEMBL2771695 0.87 GALR2 (0.48) GALR2GALR1SENP6SENP7APAF1
SCHEMBL2770914 0.87 GALR2 (0.41) GALR2GALR1NPSR1SENP6SENP7
SCHEMBL2815529 0.86 HSD17B10 (0.49) GALR2GALR1NPSR1SENP6SENP7
Hydrochloric Acid SCHEMBL2984492 0.86 GALR2 (0.41) GALR2GALR1NPSR1HRH4SENP6

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 4628/4885NPSR1 2467/4885

“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.