SCHEMBL2786331

SCHEMBL2786331

CN(CCNC(=S)Nc1c(F)c(F)c(F)c(F)c1F)CCNc1cc(N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
RAD52 P43351 5/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 3/20 0.40
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
GLA P06280 1/20 0.37
APAF1 O14727 6/20 0.36
MAPT P10636 6/20 0.36
SENP7 Q9BQF6 6/20 0.36
SENP6 Q9GZR1 6/20 0.36
GAA P10253 4/20 0.36
SENP8 Q96LD8 3/20 0.36
PPP1CA P62136 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
PABPC1 P11940 1/20 0.34

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
SCHEMBL2772650 0.88 RAD52 (0.43) KDM4ERAD52HTTLMNAKMT2A
SCHEMBL2772283 0.87 KDM4E (0.47) KDM4ERAD52HTTLMNAKMT2A
SCHEMBL2774380 0.85 RAD52 (0.47) KDM4ERAD52HTTLMNAKMT2A
SCHEMBL2773742 0.85 SMN1; SMN2 (0.41) KDM4ERAD52HTTLMNAKMT2A
SCHEMBL2772141 0.85 LMNA (0.41) KDM4ERAD52HTTLMNAKMT2A
SCHEMBL2774444 0.85 KDM4E (0.41) KDM4ERAD52HTTLMNAKMT2A
SCHEMBL2774140 0.85 RAD52 (0.45) KDM4ERAD52HTTLMNAKMT2A
SCHEMBL2773495 0.83 LMNA (0.48) KDM4ERAD52HTTLMNAKMT2A
SCHEMBL2774351 0.83 KDM4E (0.47) KDM4ERAD52HTTLMNAKMT2A
SCHEMBL2775656 0.83 RAD52 (0.46) KDM4ERAD52HTTLMNAKMT2A

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 KDM4E 2170/4885RAD52 325/4885HTT 4753/4885

“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.