SCHEMBL2771229

SCHEMBL2771229

COc1c(Nc2ccc(C#N)cc2)c(=O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.43
POLB P06746 3/20 0.42
GSK3B P49841 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
IL18 Q14116 1/20 0.37
DHODH Q02127 1/20 0.37
KDR P35968 2/20 0.36
MMP2 P08253 1/20 0.36
ACP1 P24666 1/20 0.36
BUB1 O43683 1/20 0.36
EGFR P00533 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
SCHEMBL6642520 0.83 POLB (0.63) CXCR2POLBKDM4EMAPTMEN1
SCHEMBL2773108 0.80 MAPT (0.57) POLBKDM4EMAPTMEN1KMT2A
SCHEMBL2772692 0.78 POLB (0.49) CXCR2POLBGSK3BMAPTMEN1
SCHEMBL2775099 0.78 POLB (0.45) CXCR2POLBGSK3BKDM4EMAPT
SCHEMBL2770446 0.78 POLB (0.47) CXCR2POLBKDM4EMAPTMEN1
SCHEMBL2994041 0.78 POLB (0.45) POLBKDM4EMAPTMEN1KMT2A
SCHEMBL2993822 0.78 POLB (0.51) CXCR2POLBMAPTMEN1KMT2A
SCHEMBL30115034 0.75 POLB (0.47) POLBMAPTMEN1KMT2ACA1
SCHEMBL2773341 0.75 BCL9 (0.46) CXCR2POLBMAPTMEN1KMT2A
SCHEMBL2771680 0.74 MAPT (0.55) POLBMAPTMEN1KMT2ARAB9A

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 CXCR2 1049/4885POLB 273/4885GSK3B 139/4885

“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.