SCHEMBL2774328

SCHEMBL2774328

COc1c(Nc2ccc(Cl)c(C(F)(F)F)c2)c(=O)c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.57
MAPT P10636 6/20 0.53
LMNA P02545 6/20 0.53
GAA P10253 2/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 2/20 0.50
KDR P35968 3/20 0.48
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 1/20 0.46
PDK1 Q15118 1/20 0.44
MAP2K1 Q02750 1/20 0.44
DHODH Q02127 1/20 0.43
TRPV1 Q8NER1 2/20 0.41
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL29772948 1.00 RAPGEF4 (0.57) RAPGEF4MAPTLMNAGAAMEN1
SCHEMBL22092711 0.86 POLB (0.55) RAPGEF4MAPTLMNAGAAMEN1
SCHEMBL29494990 0.86 POLB (0.55) RAPGEF4MAPTLMNAGAAMEN1
SCHEMBL2775637 0.82 RAPGEF4 (0.54) RAPGEF4MAPTLMNAMEN1KMT2A
SCHEMBL22092710 0.79 RAPGEF4 (0.57) RAPGEF4MAPTMEN1KMT2AHTT
SCHEMBL29494963 0.79 RAPGEF4 (0.57) RAPGEF4MAPTMEN1KMT2AHTT
SCHEMBL22092694 0.78 RAPGEF4 (0.56) RAPGEF4MEN1KMT2AHTTKDR
SCHEMBL29494936 0.78 RAPGEF4 (0.56) RAPGEF4MEN1KMT2AHTTKDR
SCHEMBL2773336 0.77 POLB (0.46) MAPTMEN1KMT2AMAPK1TP53
SCHEMBL2772692 0.75 POLB (0.49) MAPTLMNAMEN1KMT2AHTT

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 RAPGEF4 1886/4885MAPT 4215/4885LMNA 4548/4885

“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.