SCHEMBL2773620

SCHEMBL2773620

CN(CCNC(=S)Nc1ccc(S(N)(=O)=O)cc1)CCNc1cc(N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.52
CA2 P00918 13/20 0.52
CA12 O43570 3/20 0.52
ACHE P22303 1/20 0.49
CA9 Q16790 9/20 0.48
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RAD52 P43351 1/20 0.44
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
DUSP3 P51452 2/20 0.41
PTPN11 Q06124 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN5 P54829 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
SCHEMBL2771203 0.91 RAD52 (0.43) CA1CA2CA12ACHECA9
SCHEMBL2786919 0.90 RAD52 (0.42) CA1CA2CA12ACHECA9
SCHEMBL2772768 0.90 GAA (0.49) LMNAHTTKDM4ERAD52ALDH1A1
SCHEMBL2772198 0.88 CA1 (0.47) CA1CA2CA9LMNAHTT
SCHEMBL2772352 0.88 KMT2A (0.44) CA1CA2CA9LMNAHTT
SCHEMBL2790779 0.87 CA1 (0.45) CA1CA2CA9LMNAHTT
SCHEMBL2773495 0.87 LMNA (0.48) ACHELMNAHTTKDM4ERAD52
SCHEMBL2774351 0.87 KDM4E (0.47) LMNAHTTKDM4ERAD52ALDH1A1
SCHEMBL2772283 0.87 KDM4E (0.47) LMNAHTTKDM4ERAD52ALDH1A1
SCHEMBL2773174 0.87 KMT2A (0.49) LMNAHTTKDM4ERAD52ALDH1A1

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-20100137275-A1 TRIAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF CDC25 PHOSPHATASE IPSEN PHARMA S.A.S. (FR) 2010-06-03 US claimed
EP-2152675-A1 TRIAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF CDC25 PHOSPHATASE IPSEN PHARMA S.A.S. (FR) 2010-02-17 EP claimed
WO-2008152223-A1 TRIAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF CDC25 PHOSPHATASE IPSEN PHARMA S.A.S. (FR) 2008-12-18 WO claimed
US-20100137275-A1 TRIAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF CDC25 PHOSPHATASE IPSEN PHARMA S.A.S. (FR) 2010-06-03 US disclosed
EP-2152675-A1 TRIAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF CDC25 PHOSPHATASE IPSEN PHARMA S.A.S. (FR) 2010-02-17 EP disclosed
WO-2008152223-A1 TRIAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF CDC25 PHOSPHATASE IPSEN PHARMA S.A.S. (FR) 2008-12-18 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-20100137275-A1 TRIAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF CDC25 PHOSPHATASE CDC25A, CDC25B, CDC25C CA1 2513/4885CA2 1445/4885CA12 3976/4885

“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.