SCHEMBL2771680

SCHEMBL2771680

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
HTT P42858 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 3/20 0.46
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
GAA P10253 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 3/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.42
PTPN6 P29350 1/20 0.42
TAAR1 Q96RJ0 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
TDO2 P48775 1/20 0.39
NLRP1 Q9C000 1/20 0.39

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
SCHEMBL2772412 0.84 SMN1; SMN2 (0.51) MAPTHTTNPSR1MEN1KMT2A
SCHEMBL2770446 0.81 POLB (0.47) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL25501940 0.80 CYP1A2 (0.50) MAPTHTTAKR1C3AKR1C2MEN1
SCHEMBL2773108 0.80 MAPT (0.57) MAPTHTTNPSR1MEN1KMT2A
SCHEMBL2772692 0.78 POLB (0.49) MAPTHTTAKR1C3AKR1C2MEN1
SCHEMBL2994041 0.78 POLB (0.45) MAPTHTTMEN1KMT2AGAA
SCHEMBL2775099 0.78 POLB (0.45) MAPTHTTNPSR1MEN1KMT2A
SCHEMBL2993822 0.78 POLB (0.51) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6040860 0.77 TDO2 (0.47) MAPTHTTNPSR1AKR1C3AKR1C2
SCHEMBL2773341 0.75 BCL9 (0.46) MAPTMEN1KMT2APOLB

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 MAPT 4215/4885HTT 4193/4885NPSR1 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.