SCHEMBL2773250

SCHEMBL2773250

COc1c(Nc2cccc(Cl)c2)c(=O)c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
POLB P06746 1/20 0.55
GSK3B P49841 3/20 0.47
GSK3A P49840 2/20 0.47
STK10 O94804 2/20 0.47
SLK Q9H2G2 2/20 0.47
CLK2 P49760 1/20 0.47
STK33 Q9BYT3 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
TLK1 Q9UKI8 1/20 0.47
GFER P55789 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
EGFR P00533 4/20 0.46
ERBB3 P21860 1/20 0.46
CSF1R P07333 1/20 0.44

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
SCHEMBL2990917 0.83 KMT2A (0.81) MEN1KMT2APOLBSTK10SLK
SCHEMBL26116957 0.81 MEN1 (0.55) MEN1KMT2APOLBHPGDEGFR
SCHEMBL31296648 0.81 MEN1 (0.55) MEN1KMT2APOLBHPGDEGFR
SCHEMBL31296647 0.81 MEN1 (0.55) MEN1KMT2APOLBHPGDEGFR
SCHEMBL2772692 0.80 POLB (0.49) MEN1KMT2APOLBGSK3BGSK3A
SCHEMBL2993822 0.80 POLB (0.51) MEN1KMT2APOLBLMNAHPGD
SCHEMBL7785565 0.79 KMT2A (0.60) MEN1KMT2APOLBGSK3BGFER
SCHEMBL30115032 0.79 MEN1 (0.53) MEN1KMT2APOLBSTK10SLK
SCHEMBL7260357 0.77 POLB (0.41) MEN1KMT2APOLBSMN1; SMN2KDM4E
SCHEMBL31296652 0.76 RAPGEF4 (0.50) MEN1KMT2APOLBLMNAHPGD

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 MEN1 1932/4885KMT2A 1935/4885POLB 273/4885

“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.